SCHEMBL4657276

SCHEMBL4657276

CC(C)(C)OC(=O)N1CCC(C#N)(c2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.58
SLC6A4 P31645 2/20 0.45
SLC6A3 Q01959 2/20 0.45
CCR5 P51681 4/20 0.44
OPRL1 P41146 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TACR1 P25103 1/20 0.41
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
ATM Q13315 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL14272921 0.91 OPRM1 (0.47) OPRM1CCR5MEN1KMT2APDE4A
SCHEMBL191571 0.90 OPRM1 (0.46) OPRM1MEN1KMT2ATACR1
SCHEMBL651457 0.87 OPRM1 (0.56) OPRM1MEN1KMT2APOLB
SCHEMBL31158359 0.85 STS (0.47) CCR5MEN1KMT2ATACR1ALOX15
SCHEMBL2573823 0.85 STS (0.47) CCR5MEN1KMT2ATACR1ALOX15
SCHEMBL27225781 0.84 JAK2 (0.47) TACR1PDE4APDE4BPDE4CPDE4D
SCHEMBL22509312 0.83 OPRM1 (0.55) OPRM1MEN1KMT2AALOX15TSHR
SCHEMBL654359 0.83 CCR5 (0.47) CCR5MEN1KMT2ATACR1ALOX15
SCHEMBL8350419 0.83 OPRM1 (0.59) OPRM1OPRL1KMT2ATACR1PDE4A
SCHEMBL4657423 0.83 OPRM1 (0.67) OPRM1SLC6A4SLC6A3OPRL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170015654-A1 PYRIDAZINE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-01-19 US disclosed
EP-3118200-A1 PYRIDAZINE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2017-01-18 EP disclosed
US-9133187-B2 Serine/threonine kinase inhibitors ARRAY BIOPHARMA INC. (US) 2015-09-15 US disclosed
EP-2681215-B1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2015-04-22 EP disclosed
EP-2771322-A2 NOVEL TRPV3 MODULATORS AbbVie Inc. (US) 2014-09-03 EP disclosed
US-8772500-B2 TRPV3 modulators ABBVIE INC. (US) 2014-07-08 US disclosed
US-8772499-B2 TRPV3 modulators ABBVIE INC. (US) 2014-07-08 US disclosed
US-20140080803-A1 NOVEL TRPV3 MODULATORS ABBVIE INC. (US) 2014-03-20 US disclosed
EP-2681215-A1 SERINE/THREONINE KINASE INHIBITORS Array Biopharma, Inc. (US) 2014-01-08 EP disclosed
US-20130338140-A1 SERINE/THREONINE KINASE INHIBITORS GENETECH, INC. (US) 2013-12-19 US disclosed
WO-2013062966-A2 NOVEL TRPV3 MODULATORS ABBVIE INC. (US) 2013-05-02 WO disclosed
WO-2012118850-A1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2012-09-07 WO disclosed
EP-1549615-B1 NAPHTHAMIDE DERIVATIVES AND THEIR USE ASTRAZENECA AB (SE) 2008-12-03 EP disclosed
EP-1581495-B1 4-aryl-4-(naphth-1-ylmethylamino)methyl-piperidine compounds and their use ASTRAZENECA AB (SE) 2007-04-18 EP disclosed
US-20060241142-A1 Naphthamide derivatives and their use ALEATEL WIRELESS, INC. 2006-10-26 US disclosed
US-20060058352-A1 Piperidine amine compounds and their use ASTRAZENECA AB (SE) 2006-03-16 US disclosed
EP-1581495-A1 PIPERIDINE AMINE COMPOUNDS AND THEIR USE AstraZeneca AB (SE) 2005-10-05 EP disclosed
EP-1549615-A1 NAPHTHAMIDE DERIVATIVES AND THEIR USE AstraZeneca AB (SE) 2005-07-06 EP disclosed
WO-2004056771-A1 PIPERIDINE AMINE COMPOUNDS AND THEIR USE ASTRAZENECA AB (SE) 2004-07-08 WO disclosed
WO-2004020411-A1 NAPHTHAMIDE DERIVATIVES AND THEIR USE ASTRAZENECA AB (SE) 2004-03-11 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-20130338140-A1 SERINE/THREONINE KINASE INHIBITORS MAP3K1, MAP3K2, MAP3K20 OPRM1 4778/4885SLC6A4 4817/4885SLC6A3 4577/4885
US-20060058352-A1 Piperidine amine compounds and their use HRH3, H1-5, H1-0 OPRM1 161/4885SLC6A4 752/4885SLC6A3 1270/4885
US-20170015654-A1 PYRIDAZINE COMPOUND SCD, SCD5, FADS2 OPRM1 3911/4885SLC6A4 2421/4885SLC6A3 3698/4885
US-20140080803-A1 NOVEL TRPV3 MODULATORS TRPV3, TRPV4, TRPV5 OPRM1 121/4885SLC6A4 498/4885SLC6A3 747/4885
US-20060241142-A1 Naphthamide derivatives and their use NPM1, H1-4, H1-3 OPRM1 696/4885SLC6A4 1749/4885SLC6A3 2056/4885

“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.