SCHEMBL3640272

SCHEMBL3640272

OC1(c2ccc(F)cc2)CC[N]CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.46
OPRD1 P41143 2/20 0.46
OPRK1 P41145 2/20 0.46
OPRL1 P41146 2/20 0.46
DRD2 P14416 7/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
HTR1A P08908 2/20 0.39
DRD1 P21728 2/20 0.39
DRD5 P21918 2/20 0.39
SLC6A2 P23975 2/20 0.39
HTR2A P28223 2/20 0.39
SLC6A4 P31645 2/20 0.39
HTR7 P34969 2/20 0.39
HRH1 P35367 2/20 0.39
DRD3 P35462 2/20 0.39
HTR2B P41595 2/20 0.39
GRIN2B Q13224 1/20 0.39
AR P10275 1/20 0.39
KCNH2 Q12809 1/20 0.39
TSHR P16473 1/20 0.38

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
SCHEMBL7824744 0.84 OPRM1 (0.53) OPRM1OPRD1OPRK1OPRL1DRD2
SCHEMBL6154699 0.80 OPRM1 (0.50) OPRM1OPRD1OPRK1OPRL1DRD2
SCHEMBL18306930 0.80 OPRM1 (0.50) OPRM1OPRD1OPRK1OPRL1DRD2
SCHEMBL216848 0.79 DRD2 (0.60) OPRM1OPRD1OPRK1OPRL1DRD2
SCHEMBL3876399 0.79 OPRM1 (0.50) OPRM1OPRD1OPRK1OPRL1DRD2
SCHEMBL3126817 0.79 OPRM1 (0.46) OPRM1OPRD1OPRK1OPRL1DRD2
SCHEMBL3127047 0.79 OPRL1 (0.49) OPRM1OPRD1OPRK1OPRL1DRD2
SCHEMBL42581 0.78 OPRL1 (0.52) OPRM1OPRD1OPRK1OPRL1
SCHEMBL11648759 0.78 SLC6A3 (0.52) OPRM1OPRD1OPRK1OPRL1DRD2
SCHEMBL3639977 0.77 OPRL1 (0.52) OPRM1OPRD1OPRK1OPRL1SLC6A2

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
US-8853392-B2 Benzamide mGluR5 positive allosteric modulators and methods of making and using same VANDERBILT UNIVERSITY (US) 2014-10-07 US claimed
US-8853392-B2 Benzamide mGluR5 positive allosteric modulators and methods of making and using same VANDERBILT UNIVERSITY (US) 2014-10-07 US disclosed
EP-2162136-A1 BENZAMIDE MGLUR5 POSITIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING SAME VANDERBILT UNIVERSITY (US) 2010-03-17 EP disclosed
US-20090042855-A1 BENZAMIDE mGluR5 POSITIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING SAME DEPARTMENT OF VETERANS AFFAIRS 2009-02-12 US disclosed
WO-2008151184-A1 BENZAMIDE MGLUR5 POSITIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING SAME VANDERBILT UNIVERSITY (US) 2008-12-11 WO disclosed
US-5925642-A ANTITUMOR, ANTIMETASTASIS AGENTS; DRUG RESISTANCE MODULATORS; SYNERGISTIC MIXTURES WITH ANTIBIOTICS AND CYTOSTATIC AGENTS; SIDE EFFECT REDUCTION BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1999-07-20 US disclosed
US-5668131-A CONTROLLING HELICOBACTER BACTERIA BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1997-09-16 US disclosed
WO-1996000224-A1 4-S- AND N-SUBSTITUTED 6-ALKYLPYRIDINES FOR CONTROLLING HELICOBACTER BACTERIA BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1996-01-04 WO disclosed
EP-0666854-A1 NEUROPROTECTIVE 3,4-DIHYDRO-2(1H)-QUINOLONE COMPOUNDS. PFIZER (US) 1995-08-16 EP disclosed
WO-1994010166-A1 NEUROPROTECTIVE 3,4-DIHYDRO-2(1H)-QUINOLONE COMPOUNDS PFIZER INC. (US) 1994-05-11 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 (1 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-20090042855-A1 BENZAMIDE mGluR5 POSITIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING SAME GRM5, GRIK5, GRM3 OPRM1 430/4885OPRD1 226/4885OPRK1 248/4885

“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.