SCHEMBL5109

SCHEMBL5109

c1cncc(N2CC[N]CC2)c1

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 7/20 0.61
CHRNA4 P43681 7/20 0.61
CHRNA7 P36544 1/20 0.49
CHRNB4 P30926 2/20 0.47
CHRNA3 P32297 2/20 0.47

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
SCHEMBL11544331 0.83 CHRNB2 (0.76) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL161236 0.83 CHRNB2 (0.76) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL29959593 0.83 CHRNB2 (0.76) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL1462348 0.82 CHRNB2 (0.73) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL30241909 0.82 CHRNB2 (0.73) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL30241910 0.82 CHRNB2 (0.73) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL1171348 0.80 CHRNB2 (0.61) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL9557965 0.78 CHRNB2 (0.59) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL3538787 0.78 CHRNB2 (0.87) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL732444 0.78 CHRNB2 (0.59) CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011058109-A1 FUSED BICYCLIC PYRROLE AND IMIDAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2011-05-19 WO claimed
EP-2051978-A2 ACETAMIDE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2009-04-29 EP claimed
WO-2007136875-A2 ACETAMIDE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2007-11-29 WO claimed
EP-0614664-B2 Quinolonecarboxylic acid derivatives, their preparation and their use as cell adhesion inhibitors TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-01-08 EP claimed
EP-0614664-B1 Quinolonecarboxylic acid derivatives, their preparation and their use as cell adhesion inhibitors TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1998-09-16 EP claimed
US-20200399268-A1 Pharmaceutical 6,5 Heterobicyclic Ring Derivatives EVOTEC (UK) LTD (GB) 2020-12-24 US disclosed
EP-3752150-A1 PHARMACEUTICAL 6,5 HETEROBICYCLIC RING DERIVATIVES UCB Biopharma SRL (BE) 2020-12-23 EP disclosed
WO-2019158731-A1 PHARMACEUTICAL 6,5 HETEROBICYCLIC RING DERIVATIVES UCB BIOPHARMA SPRL (BE) 2019-08-22 WO disclosed
US-9951086-B2 Indazolecarboxamides, processes for their preparation, pharmaceutical preparations comprising them and their use for producing medicaments BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-04-24 US disclosed
US-20160376240-A1 6 Phenyl or 6 Pyridin 3 YL Indazole Derivatives and Methods of Use ABBVIE INC. (US) 2016-12-29 US disclosed
EP-3097091-A1 6-PHENYL- OR 6-(PYRIDIN-3-YL)INDAZOLE DERIVATIVES AND METHODS OF USE AbbVie Inc. (US) 2016-11-30 EP disclosed
US-20160311833-A1 NOVEL INDAZOLECARBOXAMIDES, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL PREPARATIONS COMPRISING THEM AND THEIR USE FOR PRODUCING MEDICAMENTS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-10-27 US disclosed
US-5364844-A Hypotensive agents SANKYO COMPANY, LIMITED (JP) 1994-11-15 US disclosed
EP-0614664-A1 Quinolonecarboxylic acid derivatives, their preparation and their use as cell adhesion inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-09-14 EP disclosed
EP-0326364-B1 Renin inhibitory oligopeptides, their preparation and use SANKYO CO (JP) 1994-06-22 EP disclosed
US-5290934-A Benzoheterocyclic compounds OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-03-01 US disclosed
EP-0565132-A2 Benzoheterocyclic compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-10-13 EP disclosed
US-5215967-A AMINOACID DERIVATIVES INHIBITING RENIN MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-06-01 US disclosed
EP-0326364-A2 Renin inhibitory oligopeptides, their preparation and use Sankyo Company Limited (JP) 1989-08-02 EP disclosed
EP-0287951-A2 7-Piperazinyl- or 7-Morpholino-4-oxo-quinoline-3-carboxylic acid derivatives, their preparation and their use as antimicrobial agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-10-26 EP 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 (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-20160376240-A1 6 Phenyl or 6 Pyridin 3 YL Indazole Derivatives and Methods of Use MUSK, NTRK3, NTRK2 CHRNB2 647/4885CHRNA4 637/4885CHRNA7 387/4885
US-20200399268-A1 Pharmaceutical 6,5 Heterobicyclic Ring Derivatives STING1, IRF3, NFATC1 CHRNB2 3013/4885CHRNA4 3674/4885CHRNA7 2454/4885
US-20160311833-A1 NOVEL INDAZOLECARBOXAMIDES, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL PREPARATIONS COMPRISING THEM AND THEIR USE FOR PRODUCING MEDICAMENTS MALT1, APC, UACA CHRNB2 2844/4885CHRNA4 1559/4885CHRNA7 1920/4885

“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.