SCHEMBL2881934

SCHEMBL2881934

[NH]C(=O)CC1CNCCO1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 9/20 0.36
SLC6A4 P31645 8/20 0.36
SLC6A3 Q01959 6/20 0.36
HTR2A P28223 3/20 0.36
ADRB2 P07550 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA1A P35348 1/20 0.36
HTR2B P41595 1/20 0.36
ADRA2C P18825 1/20 0.36
WNT1 P04628 1/20 0.34
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34
SLC6A1 P30531 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRB2 P47870 2/20 0.33
SLC6A12 P48065 2/20 0.33
SLC6A11 P48066 2/20 0.33
SLC6A13 Q9NSD5 2/20 0.33
GABRA1 P14867 1/20 0.33
GABRR1 P24046 1/20 0.33

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
SCHEMBL29956504 0.82 CYP1A2 (0.47) SLC6A2SLC6A4SLC6A3HTR2AADRB2
SCHEMBL29953294 0.82 CYP1A2 (0.47) SLC6A2SLC6A4SLC6A3HTR2AADRB2
SCHEMBL1035792 0.82 CYP1A2 (0.47) SLC6A2SLC6A4SLC6A3HTR2AADRB2
Hydrochloric Acid SCHEMBL15572481 0.81 CYP1A2 (0.46) SLC6A2SLC6A4SLC6A3HTR2AADRB2
SCHEMBL6519388 0.81 ADRA2C (0.39) SLC6A2SLC6A4SLC6A3HTR2AADRB2
SCHEMBL2442395 0.81 ADRA2C (0.39) SLC6A2SLC6A4SLC6A3HTR2AADRB2
SCHEMBL30301515 0.81 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3HTR2AADRB2
SCHEMBL27759407 0.81 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3HTR2AADRB2
SCHEMBL15571986 0.81 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3HTR2AADRB2
Hydrochloric Acid SCHEMBL15573747 0.79 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3HTR2AADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112107568-B Diaryl amide compound and application thereof 北京龙嘉博创医药科技有限公司 2022-03-25 CN claimed
US-20200207779-A2 THIENOPYRIMIDINE COMPOUND, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF Hongyun Biotech Co., Ltd. (CN) 2020-07-02 US claimed
US-20190211030-A1 THIENOPYRIMIDINE COMPOUND, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF Hongyun Biotech Co., Ltd. (CN) 2019-07-11 US claimed
EP-3498716-A1 THIENOPYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION, AND APPLICATIONS Hongyun Biotech Co., Ltd. (CN) 2019-06-19 EP claimed
US-8183234-B2 Tricyclic guanidine derivatives as sodium-proton exchange inhibitors PIRAMAL LIFE SCIENCES LIMITED (IN) 2012-05-22 US claimed
US-7834001-B2 N-(10,10-Dioxo-10,11-dihydro-5-oxa-10-lambda*6*-thia-dibenzo[a.d]cycloheptene-8-carbonyl)-guanidine; tumor necrosis factor inhibitors; sodium-proton exchange inhibitors for treatment of organ disorders associated with ischemia and reperfusion, cardiac arrhythmia, cardiac hypertrophy PIRAMAL LIFE SCIENCES LIMITED (IN) 2010-11-16 US claimed
US-20100267690-A1 TRICYCLIC GUANIDINE DERIVATIVES AS SODIUM-PROTON EXCHANGE INHIBITORS PIRAMAL LIFE SCIENCES LIMITED (IN) 2010-10-21 US claimed
EP-2205076-A1 COMBINATION THERAPY FOR THE TREATMENT OF CANCER USING COX-2 INHIBITORS AND DUAL INHIBITORS OF EGFR ÝERBB1¨AND HER-2 ÝERBB2¨ Tragara Pharmaceuticals, Inc. (US) 2010-07-14 EP claimed
WO-2009042613-A1 COMBINATION THERAPY FOR THE TREATMENT OF CANCER USING COX-2 INHIBITORS AND DUAL INHIBITORS OF EGFR [ERBB1] AND HER-2 [ERBB2] TRAGARA PHARMACEUTICALS, INC. (US) 2009-04-02 WO claimed
US-20070299051-A1 Tricyclic Guanidine Derivatives as Sodium-Proton Exchange Inhibitors NICHOLAS PIRAMAL INDIA LIMITED. (IN) 2007-12-27 US claimed
EP-1812420-A1 TRICYCLIC GUANIDINE DERIVATIVES AS SODIUM-PROTON EXCHANGE INHIBITORS Nicholas Piramal India Limited (IN) 2007-08-01 EP claimed
WO-2006051476-A1 TRICYCLIC GUANIDINE DERIVATIVES AS SODIUM-PROTON EXCHANGE INHIBITORS NICHOLAS PIRAMAL INDIA LIMITED (IN) 2006-05-18 WO claimed
JP-2002512230-A 2002-04-23 JP claimed
EP-1071668-A1 5-AMINOINDENO(1,2-C)PYRAZOL-4-ONES AS ANTI-CANCER AND ANTI-PROLIFERATIVE AGENTS Du Pont Pharmaceuticals Company (US) 2001-01-31 EP claimed
WO-1999054308-A1 5-AMINOINDENO(1,2-C)PYRAZOL-4-ONES AS ANTI-CANCER AND ANTI-PROLIFERATIVE AGENTS DU PONT PHARMACEUTICALS COMPANY (US) 1999-10-28 WO claimed
EP-0912570-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 1999-05-06 EP claimed
WO-1998002438-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 1998-01-22 WO claimed
US-11078213-B2 Thienopyrimidine compound, preparation method thereof, pharmaceutical composition and application thereof Hongyun Biotech Co., Ltd. (CN) 2021-08-03 US disclosed
WO-1998002438-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 1998-01-22 WO disclosed
WO-1998002434-A1 FUSED HETEROCYCLIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 1998-01-22 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 (5 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-20100267690-A1 TRICYCLIC GUANIDINE DERIVATIVES AS SODIUM-PROTON EXCHANGE INHIBITORS ATP2A1, ATP2A3, KCNN4 SLC6A2 421/4885SLC6A4 282/4885SLC6A3 596/4885
US-20190211030-A1 THIENOPYRIMIDINE COMPOUND, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF ALK, MET, TIE1 SLC6A2 3763/4885SLC6A4 2198/4885SLC6A3 3349/4885
US-20070299051-A1 Tricyclic Guanidine Derivatives as Sodium-Proton Exchange Inhibitors ATP2A1, ATP2A3, KCNN4 SLC6A2 421/4885SLC6A4 282/4885SLC6A3 596/4885
US-20200207779-A2 THIENOPYRIMIDINE COMPOUND, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF ALK, MET, TIE1 SLC6A2 3763/4885SLC6A4 2198/4885SLC6A3 3349/4885
US-11078213-B2 Thienopyrimidine compound, preparation method thereof, pharmaceutical composition and application thereof ALK, MET, TIE1 SLC6A2 3763/4885SLC6A4 2198/4885SLC6A3 3349/4885

“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.