SCHEMBL81429

SCHEMBL81429

Cc1ccc(CCN2CCCCC2)cc1

nearest known ligand 0.96

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.96
HRH1 P35367 1/20 0.77
SIGMAR1 Q99720 3/20 0.66
L3MBTL1 Q9Y468 2/20 0.66
MBTD1 Q05BQ5 1/20 0.66
L3MBTL3 Q96JM7 1/20 0.66
SLC6A3 Q01959 1/20 0.62
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
TDP1 Q9NUW8 1/20 0.58
MAPT P10636 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56

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
SCHEMBL19661490 1.00 HRH3 (0.96) HRH3HRH1SIGMAR1L3MBTL1MBTD1
SCHEMBL20820999 1.00 HRH3 (0.96) HRH3HRH1SIGMAR1L3MBTL1MBTD1
SCHEMBL18923722 1.00 HRH3 (0.96) HRH3HRH1SIGMAR1L3MBTL1MBTD1
SCHEMBL19661165 1.00 HRH3 (0.96) HRH3HRH1SIGMAR1L3MBTL1MBTD1
SCHEMBL19661488 1.00 HRH3 (0.96) HRH3HRH1SIGMAR1L3MBTL1MBTD1
SCHEMBL13164030 0.98 HRH3 (1.00) HRH3HRH1SIGMAR1L3MBTL1MBTD1
SCHEMBL25093149 0.94 HRH3 (0.86) HRH3HRH1SIGMAR1L3MBTL1MBTD1
SCHEMBL10211758 0.94 HRH3 (0.92) HRH3HRH1SIGMAR1L3MBTL1MBTD1
SCHEMBL25092863 0.92 HRH3 (0.89) HRH3HRH1SIGMAR1L3MBTL1MBTD1
SCHEMBL13271136 0.89 HRH1 (0.90) HRH3HRH1SIGMAR1L3MBTL1MBTD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4140485-A1 MODULATORS OF TOLL-LIKE RECEPTORS FOR THE TREATMENT OF HIV Gilead Sciences, Inc. (US) 2023-03-01 EP disclosed
US-10442812-B2 Substituted 4-methyl-pyrrolo[1,2-a]pyrimidine-8-carboxamide compounds and uses thereof for modulating glucocerebrosidase activity NORTHWESTERN UNIVERSITY (US) 2019-10-15 US disclosed
US-20190152980-A1 SUBSTITUTED 4-METHYL-PYRROLO[1,2-A]PYRIMIDINE-8-CARBOXAMIDE COMPOUNDS AND USES THEREOF FOR MODULATING GLUCOCEREBROSIDASE ACTIVITY NORTHWESTERN UNIVERSITY (US) 2019-05-23 US disclosed
US-10227352-B2 Substituted 4-methyl-pyrrolo[1,2-A]pyrimidine-8-carboxamide compounds and uses thereof for modulating glucocerebrosidase activity NORTHWESTERN UNIVERSITY (US) 2019-03-12 US disclosed
US-10040799-B2 Substituted 4-methyl-pyrrolo[1,2-A]pyrimidine-8-carboxamide compounds and uses thereof for modulating glucocerebrosidase activity NORTHWESTERN UNIVERSITY (US) 2018-08-07 US disclosed
US-20180037586-A1 SUBSTITUTED 4-METHYL-PYRROLO[1,2-A]PYRIMIDINE-8-CARBOXAMIDE COMPOUNDS AND USES THEREOF FOR MODULATING GLUCOCEREBROSIDASE ACTIVITY NORTHWESTERN UNIVERSITY (US) 2018-02-08 US disclosed
US-9802942-B2 Substituted 4-methyl-pyrrolo[1,2-A]pyrimidine-8-carboxamide compounds and uses thereof for modulating glucocerebrosidase activity NORTHWESTERN UNIVERSITY (US) 2017-10-31 US disclosed
US-20170260143-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2017-09-14 US disclosed
US-RE46511-E1 Fused pyrimidine derivatives for inhibition of tyrosine kinase activity HANMI SCIENCE CO., LTD. (KR) 2017-08-15 US disclosed
US-9700559-B2 Compounds and compositions for the treatment of parasitic diseases NOVARTIS AG (CH) 2017-07-11 US disclosed
US-7737149-B2 N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-2H-pyrazol-3-yl]-4-(3,5-dimethylpiperazin-1-yl)benzamide and salts thereof ASTRAZENECA AB (SE) 2010-06-15 US disclosed
US-20090203673-A1 4-HETEROCYCLOALKYLPYRI(MI)DINES, PROCESS FOR THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-08-13 US disclosed
US-20090156591-A1 Thiophene and Thiazole Substituted trifluoroethanone Derivatives as Histone Deacetylase (Hdac) Inhibitors MSD ITALIA S.R.L. (IT) 2009-06-18 US disclosed
US-20080153812-A1 Heterocyclic amides as anticancer agents ASTRAZENECA AB (SE) 2008-06-26 US disclosed
US-7384952-B2 Pyrazolopyrimidine compound and a process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-06-10 US disclosed
US-7384952-B2 Pyrazolopyrimidine compound and a process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-06-10 US disclosed
EP-1926721-A2 THIOPHENE AND THIAZOLE SUBSTITUTED TRIFLUOROETHANONE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) 2008-06-04 EP disclosed
EP-1857459-A2 Pyrazolopyrimidine compound and a process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 2007-11-21 EP disclosed
CN-1989119-A New benzoyl urea derivatives RICHTER GEDEON VEGYESZET (HU) 2007-06-27 CN disclosed
WO-2007029035-A2 THIOPHENE AND THIAZOLE SUBSTITUTED TRIFLUOROETHANONE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-03-15 WO 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 (9 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-10040799-B2 Substituted 4-methyl-pyrrolo[1,2-A]pyrimidine-8-carboxamide compounds and uses thereof for modulating glucocerebrosidase activity GBA1, GBA2, GBA3 HRH3 3401/4885HRH1 2582/4885SIGMAR1 2576/4885
US-20090156591-A1 Thiophene and Thiazole Substituted trifluoroethanone Derivatives as Histone Deacetylase (Hdac) Inhibitors HDAC1, HDAC2, HDAC11 HRH3 934/4885HRH1 1814/4885SIGMAR1 2850/4885
US-10227352-B2 Substituted 4-methyl-pyrrolo[1,2-A]pyrimidine-8-carboxamide compounds and uses thereof for modulating glucocerebrosidase activity GBA1, GBA2, GBA3 HRH3 3401/4885HRH1 2582/4885SIGMAR1 2576/4885
US-20180037586-A1 SUBSTITUTED 4-METHYL-PYRROLO[1,2-A]PYRIMIDINE-8-CARBOXAMIDE COMPOUNDS AND USES THEREOF FOR MODULATING GLUCOCEREBROSIDASE ACTIVITY GBA1, GBA2, GBA3 HRH3 3401/4885HRH1 2582/4885SIGMAR1 2576/4885
US-20080153812-A1 Heterocyclic amides as anticancer agents HDAC1, HDAC11, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 HRH3 1893/4885HRH1 1543/4885SIGMAR1 1976/4885
US-20190152980-A1 SUBSTITUTED 4-METHYL-PYRROLO[1,2-A]PYRIMIDINE-8-CARBOXAMIDE COMPOUNDS AND USES THEREOF FOR MODULATING GLUCOCEREBROSIDASE ACTIVITY GBA1, GBA2, GBA3 HRH3 3401/4885HRH1 2582/4885SIGMAR1 2576/4885
US-20170260143-A1 NOVEL COMPOUNDS SLC10A1, ABCB11, CYP11B1 HRH3 3902/4885HRH1 2861/4885SIGMAR1 1440/4885
US-10442812-B2 Substituted 4-methyl-pyrrolo[1,2-a]pyrimidine-8-carboxamide compounds and uses thereof for modulating glucocerebrosidase activity GBA1, GBA2, GBA3 HRH3 3401/4885HRH1 2582/4885SIGMAR1 2576/4885
US-20090203673-A1 4-HETEROCYCLOALKYLPYRI(MI)DINES, PROCESS FOR THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS CCNI, MKI67, CCNA1 HRH3 334/4885HRH1 119/4885SIGMAR1 1242/4885

“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.