SCHEMBL2355080

SCHEMBL2355080

Cc1cncc(C2CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.51
CHRNB2 P17787 2/20 0.38
CHRNB4 P30926 2/20 0.38
CHRNA3 P32297 2/20 0.38
CHRNA4 P43681 2/20 0.38
CHRNB1 P11230 1/20 0.38
CHRNB3 Q05901 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
HTR2C P28335 2/20 0.37
CYP11B2 P19099 3/20 0.36
CYP11B1 P15538 2/20 0.36
SMYD3 Q9H7B4 1/20 0.36
TRPV6 Q9H1D0 1/20 0.35

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
SCHEMBL23990304 0.91 CYP2A6 (0.53) CYP2A6CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL15006444 0.86 HTR2C (0.56) CYP2A6HTR2CCYP11B2
SCHEMBL28862286 0.85 NOS3 (0.53) CYP2A6CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL23193878 0.79 CYP2A6 (0.46) CYP2A6CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL17896813 0.78 NOS3 (0.45) CYP2A6CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL26773906 0.78 CYP2A6 (0.45) CYP2A6CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL26773912 0.78 CYP2A6 (0.45) CYP2A6CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL26773908 0.78 CYP2A6 (0.45) CYP2A6CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL27724534 0.77 CHRNB2 (0.53) CYP2A6CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL25112059 0.75 CYP2A6 (0.46) CYP2A6CHRNB2CHRNB4CHRNA3CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3089980-B1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2018-01-31 EP claimed
US-9670208-B2 Serine/threonine kinase inhibitors ARRAY BIOPHARMA INC. (US) 2017-06-06 US claimed
EP-3089980-A1 SERINE/THREONINE KINASE INHIBITORS Array Biopharma, Inc. (US) 2016-11-09 EP claimed
US-20160304519-A1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2016-10-20 US claimed
WO-2015103137-A1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2015-07-09 WO claimed
US-11771738-B2 Endoparasitic depsipeptides ZOETIS SERVICES LLC (US) 2023-10-03 US disclosed
US-11771738-B2 Endoparasitic depsipeptides ZOETIS SERVICES LLC (US) 2023-10-03 US disclosed
WO-2023107623-A2 BICYCLIC HETEROARENES AND METHODS OF THEIR USE Kineta, Inc. (US) 2023-06-15 WO disclosed
EP-3538525-B1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2022-06-22 EP disclosed
EP-3307738-B1 ARYL DIHYDRO-2H-BENZO[B][1,4]OXAZINE SULFONAMIDE AND RELATED COMPOUNDS FOR USE AS AGONISTS OF RORY AND THE TREATMENT OF DISEASE UNIV MICHIGAN REGENTS (US) 2022-04-20 EP disclosed
WO-2021222404-A1 IMIDAZOPYRIDAZINES AS MODULATORS OF IL-17 JANSSEN BIOTECH, INC. (US) 2021-11-04 WO disclosed
EP-3538519-B1 INDAZOLE DERIVATIVES AS ALPHA V INTEGRIN ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2021-07-28 EP disclosed
US-20100022500-A1 Macrocyclic Lactams and Pharmaceutical Use Thereof NOVARTIS AG 2010-01-28 US disclosed
US-7612055-B2 Macrocyclic lactams and pharmaceutical use thereof NOVARTIS AG (CH) 2009-11-03 US disclosed
US-20080214526-A1 Macrocyclic Compounds and Compositions Useful as Bace Inhibitors NOVARTIS AG (CH) 2008-09-04 US disclosed
EP-1838680-A2 MACROCYCLIC COMPOUNDS AND COMPOSITIONS USEFUL AS BACE INHIBITORS Novartis AG (CH) 2007-10-03 EP disclosed
US-20070072792-A1 Macrocyclic lactams and pharmaceutical use thereof NOVARTIS AG (CH) 2007-03-29 US disclosed
EP-1682521-A1 MACROCYCLIC LACTAMS AND PHARMACEUTICAL USE THEREOF Novartis AG (CH) 2006-07-26 EP disclosed
WO-2006074940-A2 MACROCYCLIC COMPOUNDS AND COMPOSITIONS USEFUL AS BACE INHIBITORS NOVARTIS AG (CH) 2006-07-20 WO disclosed
WO-2005049585-A1 MACROCYCLIC LACTAMS AND PHARMACEUTICAL USE THEREOF NOVARTIS AG (CH) 2005-06-02 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-20070072792-A1 Macrocyclic lactams and pharmaceutical use thereof RPS11, MRPL21, RPS4Y1 CYP2A6 1085/4885CHRNB2 4472/4885CHRNB4 4574/4885
US-20100022500-A1 Macrocyclic Lactams and Pharmaceutical Use Thereof RPS11, MRPL21, RPS4Y1 CYP2A6 1085/4885CHRNB2 4472/4885CHRNB4 4574/4885
US-20160304519-A1 SERINE/THREONINE KINASE INHIBITORS TTBK1, MAP3K1, TNNI3K CYP2A6 4669/4885CHRNB2 2563/4885CHRNB4 3289/4885
US-11771738-B2 Endoparasitic depsipeptides VIP, PREP, VIPR1 CYP2A6 3600/4885CHRNB2 4542/4885CHRNB4 4698/4885
US-20080214526-A1 Macrocyclic Compounds and Compositions Useful as Bace Inhibitors BACE1, BACE2, APP CYP2A6 1210/4885CHRNB2 1526/4885CHRNB4 1594/4885

“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.