SCHEMBL1033731

SCHEMBL1033731

NC(=O)CCC1CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.42
ITGA2B P08514 8/20 0.42
GABRA5 P31644 3/20 0.41
GABRB2 P47870 3/20 0.41
SLC6A1 P30531 2/20 0.41
SLC6A12 P48065 2/20 0.41
SLC6A11 P48066 2/20 0.41
SLC6A13 Q9NSD5 2/20 0.41
GABRA1 P14867 2/20 0.41
GABRA4 P48169 2/20 0.41
GABRR1 P24046 1/20 0.41
GNAI3 P08754 1/20 0.41
GNAO1 P09471 1/20 0.41
GNAI1 P63096 1/20 0.41
HTR4 Q13639 1/20 0.40
FAAH O00519 1/20 0.40
CPN1 P15169 1/20 0.39
CPB2 Q96IY4 1/20 0.39
F2R P25116 4/20 0.38
TNKS2 Q9H2K2 1/20 0.38

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
SCHEMBL2543926 0.89 FAAH (0.49) ITGB3ITGA2BGABRA5GABRB2SLC6A1
SCHEMBL28326688 0.88 SLC6A1 (0.52) ITGB3ITGA2BGABRA5GABRB2SLC6A1
SCHEMBL27922990 0.88 SLC6A1 (0.52) ITGB3ITGA2BGABRA5GABRB2SLC6A1
SCHEMBL11667378 0.88 ITGB3 (0.55) ITGB3ITGA2BGABRA5GABRB2SLC6A1
Hydrochloric Acid SCHEMBL7535228 0.88 FAAH (0.48) ITGB3ITGA2BGABRA5GABRB2SLC6A1
SCHEMBL16395707 0.86 ITGB3 (0.50) ITGB3ITGA2BGABRA5GABRB2SLC6A1
SCHEMBL30701382 0.86 ITGB3 (0.50) ITGB3ITGA2BGABRA5GABRB2SLC6A1
SCHEMBL16395704 0.86 ITGB3 (0.50) ITGB3ITGA2BGABRA5GABRB2SLC6A1
Hydrochloric Acid SCHEMBL17560473 0.86 SLC6A1 (0.50) ITGB3ITGA2BGABRA5GABRB2SLC6A1
SCHEMBL26294 0.84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107567445-A It can be used as 2 phenyl 3H imidazos [4,5 B] pyridine derivates of mammal EGFR-TK ROR1 activities inhibitor 坎塞拉有限公司 2018-01-09 CN claimed
US-20100063049-A1 2-CARBOCYCLOAMINO-4-IMIDAZOLYLPYRIMIDINES AS AGENTS FOR THE INHBITION OF CELL PROLIFERATION ASTRAZENECA AB (SE) 2010-03-11 US claimed
CN-101454312-A 2-Carbocyclic amino-4-imidazolyl pyrimidines as inhibitors of cell proliferation ASTRAZENECA AB (SE) 2009-06-10 CN claimed
EP-2029578-A1 2-CARBOCYCLOAMINO-4-IMIDAZ0LYLPYRIMIDINES AS AGENTS FOR THE INHBITION OF CELL PROLIFERATION AstraZeneca AB (SE) 2009-03-04 EP claimed
WO-2007138277-A1 2-CARBOCYCLOAMINO-4-IMIDAZ0LYLPYRIMIDINES AS AGENTS FOR THE INHBITION OF CELL PROLIFERATION ASTRAZENECA AB (SE) 2007-12-06 WO claimed
WO-1995018619-A9 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2004-10-21 WO claimed
CN-1117569-C Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORP (US) 2003-08-13 CN claimed
EP-0738150-A4 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 1997-03-19 EP claimed
CN-1143323-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORP (US) 1997-02-19 CN claimed
EP-0738150-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1996-10-23 EP claimed
WO-1995018619-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1995-07-13 WO claimed
US-20250115571-A1 OXOPIPERAZINE DERIVATIVES Inthera Bioscience AG (CH) 2025-04-10 US disclosed
US-12012393-B2 Oxopiperazine derivatives Inthera Bioscience AG (CH) 2024-06-18 US disclosed
US-20230382949-A1 LINEAR APELIN RECEPTOR AGONISTS HEPTARES THERAPEUTICS LIMITED (GB) 2023-11-30 US disclosed
EP-3183232-B1 SUBSTITUTED 1-ARYLETHYL-4-ACYLAMINOPIPERIDINE DERIVATIVES AS OPIOID/ALPHA-ADRENORECEPTOR MODULATORS AND METHOD OF THEIR PREPARATION UNIV ARIZONA (US) 2023-05-03 EP disclosed
CN-1143323-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORP (US) 1997-02-19 CN disclosed
EP-0738150-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1996-10-23 EP disclosed
EP-0738150-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1996-10-23 EP disclosed
WO-1995018619-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1995-07-13 WO disclosed
WO-1995018619-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1995-07-13 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 (4 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-20100063049-A1 2-CARBOCYCLOAMINO-4-IMIDAZOLYLPYRIMIDINES AS AGENTS FOR THE INHBITION OF CELL PROLIFERATION MKI67, CCNI, CDK2 ITGB3 2162/4885ITGA2B 1849/4885GABRA5 3870/4885
US-20250115571-A1 OXOPIPERAZINE DERIVATIVES CYP3A5, AQP1, AVPR2 ITGB3 3376/4885ITGA2B 3032/4885GABRA5 170/4885
US-12012393-B2 Oxopiperazine derivatives CYP3A5, AQP1, AVPR2 ITGB3 3376/4885ITGA2B 3032/4885GABRA5 170/4885
US-20230382949-A1 LINEAR APELIN RECEPTOR AGONISTS APLNR, MTNR1A, EDNRA ITGB3 4083/4885ITGA2B 4024/4885GABRA5 562/4885

“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.