SCHEMBL800998

SCHEMBL800998

CCN(Cc1ccccc1)CC(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.54
CNR2 P34972 1/20 0.52
KDM4E B2RXH2 1/20 0.51
TSHR P16473 3/20 0.50
MAPK1 P28482 1/20 0.50
BCHE P06276 2/20 0.48
HRH3 Q9Y5N1 1/20 0.47
AOC3 Q16853 1/20 0.46
NPC1 O15118 1/20 0.46
SLC6A2 P23975 3/20 0.46
SLC6A4 P31645 3/20 0.46
ADRA1A P35348 2/20 0.46
SLC6A3 Q01959 2/20 0.46
KCNH2 Q12809 2/20 0.46
CHRM2 P08172 1/20 0.46
HTR1A P08908 1/20 0.46
ADRA2A P08913 1/20 0.46
CHRM1 P11229 1/20 0.46
DRD1 P21728 1/20 0.46
OPRM1 P35372 1/20 0.46

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
SCHEMBL9511821 0.90 BCHE (0.51) CNR2KDM4ETSHRBCHEAOC3
SCHEMBL14006363 0.90 BCHE (0.51) POLBCNR2KDM4ETSHRBCHE
SCHEMBL12126089 0.85 MAOB (0.50) POLBCNR2KDM4ETSHRMAPK1
SCHEMBL20803803 0.85 BCHE (0.52) POLBCNR2TSHRBCHEHRH3
SCHEMBL18746150 0.85 POLB (0.51) POLBCNR2KDM4ETSHRMAPK1
SCHEMBL20012323 0.85 POLB (0.51) POLBCNR2KDM4ETSHRMAPK1
SCHEMBL81248 0.83 HRH3 (0.65) CNR2KDM4ETSHRMAPK1BCHE
SCHEMBL375111 0.83 KDM4E (0.68) CNR2KDM4ETSHRMAPK1BCHE
SCHEMBL12039733 0.82 BCHE (0.54) CNR2TSHRBCHEAOC3SLC6A2
SCHEMBL11932506 0.82 KCNH2 (0.53) POLBCNR2KDM4ETSHRMAPK1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3426032-B1 MICROBIOCIDAL QUINOLINE (THIO)CARBOXAMIDE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2020-08-05 EP disclosed
EP-2430018-B1 BENZOXAZOLONE DERIVATIVES AS ALDOSTERONE SYMTHASE INHIBITORS NOVARTIS AG (CH) 2013-07-03 EP disclosed
US-8455522-B2 Benzoxazolone derivatives as aldosterone synthase inhibitors NOVARTIS AG (CH) 2013-06-04 US disclosed
US-8455522-B2 Benzoxazolone derivatives as aldosterone synthase inhibitors NOVARTIS AG (CH) 2013-06-04 US disclosed
US-20120071514-A1 BENZOXAZOLONE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2012-03-22 US disclosed
US-20120071514-A1 BENZOXAZOLONE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2012-03-22 US disclosed
US-20110281837-A1 3-SUBSTITUTED-6-ARYL PYRIDINES HUTCHINSON ALAN J (US) 2011-11-17 US disclosed
US-7863454-B2 3-substituted-6-aryl pyridines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2011-01-04 US disclosed
US-20090176980-A1 3-Substituted-6-Aryl Pyridines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2009-07-09 US disclosed
US-7342115-B2 Binding antagonist and arylpyridine for antiinflammatory agents, cardiovascular disorders and antagonist or agonist and for immunology NEUROGEN CORPORATION (US) 2008-03-11 US 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-20110281837-A1 3-SUBSTITUTED-6-ARYL PYRIDINES C3AR1, C5AR1, C5AR2 POLB 4733/4885CNR2 114/4885KDM4E 2088/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 POLB 4733/4885CNR2 114/4885KDM4E 2088/4885
US-20120071514-A1 BENZOXAZOLONE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS CYP11B2, CYP11B1, CYP21A2 POLB 2534/4885CNR2 1963/4885KDM4E 2762/4885

“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.