SCHEMBL1306000

SCHEMBL1306000

CC(C)(C)N(C(=O)O)C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.61
CHRM2 P08172 6/20 0.59
CHRM3 P20309 6/20 0.59
SIGMAR1 Q99720 3/20 0.57
ACHE P22303 3/20 0.54
HTR2A P28223 2/20 0.54
HTR2C P28335 2/20 0.54
HTR2B P41595 2/20 0.54
DRD2 P14416 1/20 0.54
KCNH2 Q12809 1/20 0.54
CHRM4 P08173 1/20 0.53

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
SCHEMBL1062230 0.95 OPRM1 (0.56) OPRM1CHRM2CHRM3SIGMAR1ACHE
SCHEMBL1207106 0.93 OPRM1 (0.54) OPRM1CHRM2CHRM3SIGMAR1ACHE
SCHEMBL1307812 0.92 OPRM1 (0.55) OPRM1CHRM2CHRM3SIGMAR1ACHE
SCHEMBL5672524 0.88 SIGMAR1 (0.50) OPRM1SIGMAR1ACHEHTR2AKCNH2
SCHEMBL4125301 0.86 ACHE (0.57) SIGMAR1ACHE
SCHEMBL1921490 0.86 SIGMAR1 (0.56) OPRM1SIGMAR1ACHE
SCHEMBL10893210 0.86 CHRM2 (0.56) OPRM1CHRM2CHRM3SIGMAR1ACHE
SCHEMBL20544081 0.84 KDM4E (0.55) OPRM1CHRM2CHRM3ACHE
SCHEMBL20544083 0.84 KDM4E (0.55) OPRM1CHRM2CHRM3ACHE
SCHEMBL1921304 0.83 SIGMAR1 (0.53) OPRM1SIGMAR1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180256558-A1 METHODS AND COMPOSITIONS OF INHIBITING DCN1-UBC12 INTERACTION MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2018-09-13 US disclosed
EP-2913322-A2 Naphthalenyloxypropenyl derivatives having inhibitory activity against histone deacetylase and pharmaceutical composition comprising the same Korea Research Institute Of Chemical Technology (KR) 2015-09-02 EP disclosed
US-8053435-B2 Naphthalenyloxypropenyl derivatives having inhibitory activity against histone deacetylase and pharmaceutical composition comprising the same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2011-11-08 US disclosed
US-20100069630-A1 NAPHTHALENYLOXYPROPENYL DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-03-18 US disclosed
EP-1078928-B1 Pyridine derivatives, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2004-05-12 EP disclosed
EP-1078928-A1 Pyridine derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2001-02-28 EP disclosed
WO-1993013066-A1 CYCLIC AMIDES OF 3-AMINO-2-HYDROXY-CARBOXYLIC ACIDS AS HIV-PROTEASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1993-07-08 WO disclosed
EP-0111397-B1 ISOINDOLE DERIVATIVES, PREPARATION, AND USES Bristol-Myers Company (US) 1989-03-01 EP disclosed
US-4600758-A 5-SULFAMOYL-3-OXOISOINDOLES WITH ARLYPIPERIDINYL MOIETIES, DIURETICS, HYPOTENSIVES MEAD JOHNSON & COMPANY (US) 1986-07-15 US disclosed
US-4495194-A HYPOTENSIVE AGENTS; DIURETICS MEAD JOHNSON & COMPANY (US) 1985-01-22 US disclosed
EP-0111397-A1 Isoindole derivatives, preparation, and uses Bristol-Myers Company (US) 1984-06-20 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 (2 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-20180256558-A1 METHODS AND COMPOSITIONS OF INHIBITING DCN1-UBC12 INTERACTION UBQLN1, CUL1, DCUN1D1 OPRM1 3895/4885CHRM2 3729/4885CHRM3 3215/4885
US-20100069630-A1 NAPHTHALENYLOXYPROPENYL DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HDAC1, HDAC3, HDAC11 OPRM1 4385/4885CHRM2 4804/4885CHRM3 4635/4885

“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.