SCHEMBL19667809

SCHEMBL19667809

CCCCO[C@H]1CC[C@H](N)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 2/20 0.37
GNAO1 P09471 2/20 0.37
GNAI1 P63096 2/20 0.37
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
EPHX2 P34913 1/20 0.36
SPHK1 Q9NYA1 1/20 0.35
GBA1 P04062 2/20 0.34
TLR2 O60603 2/20 0.33
TSHR P16473 1/20 0.33
SMYD3 Q9H7B4 1/20 0.33
NAAA Q02083 2/20 0.32
HTR1D P28221 2/20 0.31
HTR1B P28222 2/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8598298 1.00 GNAI3 (0.37) GNAI3GNAO1GNAI1ADRB2ADRB1
Hydrochloric Acid SCHEMBL2965976 0.98 GNAI3 (0.40) GNAI3GNAO1GNAI1ADRB2ADRB1
Hydrochloric Acid SCHEMBL2965979 0.98 GNAI3 (0.40) GNAI3GNAO1GNAI1ADRB2ADRB1
SCHEMBL17730281 0.94 EPHX2 (0.41) GNAI3GNAO1GNAI1EPHX2SPHK1
SCHEMBL17730279 0.94 EPHX2 (0.41) GNAI3GNAO1GNAI1EPHX2SPHK1
SCHEMBL19554545 0.92 GBA1 (0.43) GNAI3GNAO1GNAI1EPHX2SPHK1
Hydrochloric Acid SCHEMBL22574872 0.92 GBA1 (0.43) GNAI3GNAO1GNAI1EPHX2SPHK1
Hydrochloric Acid SCHEMBL22574871 0.92 GBA1 (0.43) GNAI3GNAO1GNAI1EPHX2SPHK1
SCHEMBL19554547 0.92 GBA1 (0.43) GNAI3GNAO1GNAI1EPHX2SPHK1
SCHEMBL5986706 0.89

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12116369-B2 Substituted pyrazolo[1,5-a]pyrimidines as glucocerebrosidase activators Bial—R&D Investments, S.A. (PT) 2024-10-15 US disclosed
US-20230098494-A1 PYRAZOLO[1,5-a]PYRIMIDINYL CARBOXAMIDE COMPOUNDS AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS LYSOSOMAL THERAPEUTICS INC. 2023-03-30 US disclosed
US-11459325-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-10-04 US disclosed
US-11351173-B2 Substituted pyrrolo[1,2-a]pyrimidines and their use in the treatment of medical disorders Bial—R&D Investments, S.A. (PT) 2022-06-07 US disclosed
US-11192892-B2 Substituted pyrazolo[1,5-a]pyrimidines for the treatment of medical disorders Bial—R&D Investments, S.A. (PT) 2021-12-07 US disclosed
US-11124516-B2 Pyrrolo[1,2-A]pyrimidinyl carboxamide compounds and their use in the treatment of medical disorders BIAL-BioTech Investments, Inc. (PT) 2021-09-21 US disclosed
US-20210177853-A1 SUBSTITUTED PYRROLO[1,2-A]PYRIMIDINES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL - R&D INVESTMENTS, S.A. (PT) 2021-06-17 US disclosed
US-20210087186-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-03-25 US disclosed
US-10934298-B2 Substituted pyrazolo[1,5-a]pyrimidines for the treatment of medical disorders BIAL—BioTech Investments, Inc. (PT) 2021-03-02 US disclosed
EP-3747885-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2020-12-09 EP disclosed
EP-3215509-B1 SUBSTITUTED PYRROLO[1,2-A]PYRIMIDINES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS LYSOSOMAL THERAPEUTICS INC (US) 2020-02-26 EP disclosed
US-20200030331-A1 SUBSTITUTED PYRROLO[1,2-A]PYRIMIDINES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL - R&D INVESTMENTS, S.A. (PT) 2020-01-30 US disclosed
US-20190330213-A1 PYRAZOLO[1,5-a]PYRIMIDINYL CARBOXAMIDE COMPOUNDS AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL - R&D INVESTMENTS, S.A. (PT) 2019-10-31 US disclosed
US-20190315751-A1 PYRROLO[1,2-A]PYRIMIDINYL CARBOXAMIDE COMPOUNDS AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL - R&D INVESTMENTS, S.A. (PT) 2019-10-17 US disclosed
WO-2019151269-A1 HETEROCYCLIC COMPOUND 武田薬品工業株式会社 2019-08-08 WO disclosed
CN-107573249-B A kind of preparation method of trans- 4- alkoxy cyclohexylamine 上海馨远医药科技有限公司 2018-12-25 CN disclosed
US-20180185368-A1 SUBSTITUTED PYRROLO[1,2-A]PYRIMIDINES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS LYSOSOMAL THERAPEUTICS INC. (US) 2018-07-05 US disclosed
CN-107573249-A A kind of preparation method of trans 4 alkoxy cyclohexylamine 上海馨远医药科技有限公司 2018-01-12 CN disclosed
US-9840510-B1 Pyrazolo[1,5-a]pyrimidinyl carboxamide compounds and their use in the treatment of medical disorders LYSOSOMAL THERAPEUTICS INC. (US) 2017-12-12 US disclosed
US-20170349598-A1 PYRAZOLO[1,5-A]PYRIMIDINYL CARBOXAMIDE COMPOUNDS AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL - R&D INVESTMENTS, S.A. (PT) 2017-12-07 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (14 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20190315751-A1 PYRROLO[1,2-A]PYRIMIDINYL CARBOXAMIDE COMPOUNDS AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS PARK7, GAA, SNCA GNAI3 1052/4885GNAO1 72/4885GNAI1 420/4885
US-12116369-B2 Substituted pyrazolo[1,5-a]pyrimidines as glucocerebrosidase activators GBA1, GALC, GBA3 GNAI3 259/4885GNAO1 51/4885GNAI1 127/4885
US-11351173-B2 Substituted pyrrolo[1,2-a]pyrimidines and their use in the treatment of medical disorders TYMP, PARK7, PNP GNAI3 1217/4885GNAO1 84/4885GNAI1 520/4885
US-11192892-B2 Substituted pyrazolo[1,5-a]pyrimidines for the treatment of medical disorders GBA1, PARK7, GAA GNAI3 311/4885GNAO1 53/4885GNAI1 146/4885
US-20210177853-A1 SUBSTITUTED PYRROLO[1,2-A]PYRIMIDINES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS TYMP, PARK7, PNP GNAI3 1217/4885GNAO1 84/4885GNAI1 520/4885
US-11124516-B2 Pyrrolo[1,2-A]pyrimidinyl carboxamide compounds and their use in the treatment of medical disorders PARK7, GAA, SNCA GNAI3 1052/4885GNAO1 72/4885GNAI1 420/4885
US-20170349598-A1 PYRAZOLO[1,5-A]PYRIMIDINYL CARBOXAMIDE COMPOUNDS AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS GBA1, GAA, PARK7 GNAI3 467/4885GNAO1 49/4885GNAI1 252/4885
US-20210087186-A1 HETEROCYCLIC COMPOUND GBA1, GBA2, GALC GNAI3 195/4885GNAO1 126/4885GNAI1 148/4885
US-20230098494-A1 PYRAZOLO[1,5-a]PYRIMIDINYL CARBOXAMIDE COMPOUNDS AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS GBA1, GAA, PARK7 GNAI3 467/4885GNAO1 49/4885GNAI1 252/4885
US-10934298-B2 Substituted pyrazolo[1,5-a]pyrimidines for the treatment of medical disorders GBA1, GAA, PARK7 GNAI3 203/4885GNAO1 54/4885GNAI1 96/4885
US-20200030331-A1 SUBSTITUTED PYRROLO[1,2-A]PYRIMIDINES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS TYMP, PARK7, PNP GNAI3 1217/4885GNAO1 84/4885GNAI1 520/4885
US-20180185368-A1 SUBSTITUTED PYRROLO[1,2-A]PYRIMIDINES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS TYMP, PARK7, PNP GNAI3 1217/4885GNAO1 84/4885GNAI1 520/4885
US-20190330213-A1 PYRAZOLO[1,5-a]PYRIMIDINYL CARBOXAMIDE COMPOUNDS AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS GBA1, GAA, PARK7 GNAI3 467/4885GNAO1 49/4885GNAI1 252/4885
US-11459325-B2 Heterocyclic compound GBA1, GBA2, GALC GNAI3 201/4885GNAO1 130/4885GNAI1 146/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.