SCHEMBL505815

SCHEMBL505815

NC(=O)CC1CCNCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 4/20 0.48
GABRB2 P47870 3/20 0.48
GABRA1 P14867 3/20 0.48
SLC6A1 P30531 2/20 0.48
SLC6A12 P48065 2/20 0.48
SLC6A11 P48066 2/20 0.48
SLC6A13 Q9NSD5 2/20 0.48
GABRA4 P48169 2/20 0.48
GABRR1 P24046 1/20 0.48
EPHX1 P07099 3/20 0.44
ANPEP P15144 1/20 0.42
ERAP2 Q6P179 1/20 0.42
CPN1 P15169 2/20 0.41
CPB2 Q96IY4 2/20 0.41
TSHR P16473 3/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
GABRA3 P34903 2/20 0.41
GABRA2 P47869 2/20 0.41
GABRA6 Q16445 2/20 0.41

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
Hydrochloric Acid SCHEMBL27768809 0.98 GABRA5 (0.47) GABRA5GABRB2GABRA1SLC6A1SLC6A12
Hydrochloric Acid SCHEMBL1018925 0.98 GABRA5 (0.47) GABRA5GABRB2GABRA1SLC6A1SLC6A12
Hydrochloric Acid SCHEMBL29642930 0.98 GABRA5 (0.47) GABRA5GABRB2GABRA1SLC6A1SLC6A12
Trifluoroacetic Acid SCHEMBL13254839 0.87 GABRA5 (0.43) GABRA5GABRB2GABRA1SLC6A1SLC6A12
SCHEMBL488817 0.86
SCHEMBL488899 0.86
SCHEMBL488818 0.86
Hydrochloric Acid SCHEMBL28195837 0.85 SLC6A1 (0.64) GABRA5GABRB2GABRA1SLC6A1SLC6A12
Hydrochloric Acid SCHEMBL30595524 0.85 SLC6A1 (0.64) GABRA5GABRB2GABRA1SLC6A1SLC6A12
SCHEMBL303265 0.82

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118201909-A Quinazoline derivative compound and use thereof 株式会社沃若诺伊 2024-06-14 CN claimed
CN-112888674-B Polycyclic compounds as soluble epoxide hydrolase inhibitors 巴塞罗那大学 2023-06-30 CN claimed
WO-2017023975-A1 3-(1H-PYRROLO[2,3-C]PYRIDIN-2-YL)-1H-PYRAZOLO[3,4-C]PYRIDINES AND THERAPEUTIC USES THEREOF SAMUMED, LLC. (US) 2017-02-09 WO claimed
WO-2017023984-A1 3-(1H-PYRROLO[3,2-C]PYRIDIN-2-YL)-1H-PYRAZOLO[3,4-C]PYRIDINES AND THERAPEUTIC USES THEREOF SAMUMED, LLC. (US) 2017-02-09 WO claimed
WO-2017024004-A1 3-(1H-PYRROLO[2,3-B]PYRIDIN-2-YL)-1H-PYRAZOLO[4,3-B]PYRIDINES AND THERAPEUTIC USES THEREOF SAMUMED, LLC. (US) 2017-02-09 WO claimed
WO-2017023996-A1 3-(1H-PYRROLO[2,3-B]PYRIDIN-2-YL)-1H-PYRAZOLO[3,4-B]PYRIDINES AND THERAPEUTIC USES THEREOF SAMUMED, LLC. (US) 2017-02-09 WO claimed
WO-2017023980-A1 3-(1H-PYRROLO[2,3-B]PYRIDIN-2-YL)-1H-PYRAZOLO[3,4-C]PYRIDINES AND THERAPEUTIC USES THEREOF SAMUMED, LLC. (US) 2017-02-09 WO claimed
WO-2017023987-A1 3-(1H-PYRROLO[3,2-C]PYRIDIN-2-YL)-1H-PYRAZOLO[3,4-B]PYRIDINES AND THERAPEUTIC USES THEREOF SAMUMED, LLC. (US) 2017-02-09 WO claimed
WO-2017023973-A1 3-(1H-INDOL-2-YL)-1H-PYRAZOLO[3,4-B]PYRIDINES AND THERAPEUTIC USES THEREOF SAMUMED, LLC. (US) 2017-02-09 WO claimed
WO-2017024010-A1 3-(1H-PYRROLO[3,2-C]PYRIDIN-2-YL)-1H-INDAZOLES AND THERAPEUTIC USES THEREOF SAMUMED, LLC. (US) 2017-02-09 WO claimed
US-20090143386-A1 Human adam-10 inhibitors EXELIXIS, INC. 2009-06-04 US claimed
EP-2029578-A1 2-CARBOCYCLOAMINO-4-IMIDAZ0LYLPYRIMIDINES AS AGENTS FOR THE INHBITION OF CELL PROLIFERATION AstraZeneca AB (SE) 2009-03-04 EP claimed
EP-1633348-B1 4- BROMO - 5 - (2- CHLORO - BENZOYLAMINO) - 1H - PYRAZOLE - 3 - CARBOXYLIC ACID AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B sb 1 /sb RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES ELAN PHARM INC (US) 2008-10-08 EP claimed
US-7432379-B2 Substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists ELAN PHARMACEUTICALS, INC. (US) 2008-10-07 US claimed
US-20080182844-A1 7-Substituted Aza-Indazoles, Compositions Containing Same, Production Method and Use Thereof AVENTIS PHARMA S.A. (FR) 2008-07-31 US claimed
WO-2007138277-A1 2-CARBOCYCLOAMINO-4-IMIDAZ0LYLPYRIMIDINES AS AGENTS FOR THE INHBITION OF CELL PROLIFERATION ASTRAZENECA AB (SE) 2007-12-06 WO claimed
EP-1633348-A1 4- BROMO - 5 - (2- CHLORO - BENZOYLAMINO) - 1H - PYRAZOLE - 3 - CARBOXYLIC ACID AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B sb 1 /sb RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES Elan Pharmaceuticals, Inc. (US) 2006-03-15 EP claimed
US-20050020659-A1 Substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists ELAN PHARMACEUTICALS, INC. 2005-01-27 US claimed
WO-2004098589-A1 4- BROMO - 5 - (2- CHLORO - BENZOYLAMINO) - 1H - PYRAZOLE - 3 - CARBOXYLIC ACID AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES ELAN PHARMACEUTICALS, INC. (US) 2004-11-18 WO claimed
CN-1436175-A Cyclic lactams as inhibitors of A beta-protein production BRISTOL MYERS SQUIBB PHARMACEU (US) 2003-08-13 CN claimed

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

For each of this compound's patents that has machine-readable text (3 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-20050020659-A1 Substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists BDKRB1, BDKRB2, BRS3 GABRA5 454/4885GABRB2 244/4885GABRA1 195/4885
US-20080182844-A1 7-Substituted Aza-Indazoles, Compositions Containing Same, Production Method and Use Thereof PRMT7, PRKACA, PRKX GABRA5 3181/4885GABRB2 3333/4885GABRA1 3528/4885
US-20090143386-A1 Human adam-10 inhibitors ADAM10, ADAM12, CASP10 GABRA5 2269/4885GABRB2 2676/4885GABRA1 2165/4885

“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.