SCHEMBL1267136

SCHEMBL1267136

COc1ccccc1C1(C#N)CCN(Cc2ccccc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.63
OPRL1 P41146 3/20 0.50
ADRA1D P25100 1/20 0.50
ADRA1A P35348 1/20 0.50
ADRA1B P35368 1/20 0.50
SIGMAR1 Q99720 7/20 0.49
ADRA2A P08913 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CHRM4 P08173 1/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL18324410 0.85 ADRA1D (0.53) OPRM1ADRA1DADRA1AADRA1BKMT2A
SCHEMBL21989255 0.83 OPRM1 (0.57) OPRM1OPRL1ADRA1BSIGMAR1MEN1
SCHEMBL6248119 0.83 OPRM1 (0.68) OPRM1OPRL1ADRA1DADRA1AADRA1B
SCHEMBL23660796 0.81 OPRM1 (0.69) OPRM1OPRL1SIGMAR1ALDH1A1MAPK1
SCHEMBL6816695 0.81 KMT2A (0.55) OPRM1ADRA1DADRA1AADRA1BKMT2A
SCHEMBL2048048 0.80 SIGMAR1 (0.47) OPRM1OPRL1ADRA1DADRA1AADRA1B
SCHEMBL21582355 0.80 OPRM1 (0.68) OPRM1OPRL1SIGMAR1ALDH1A1MAPK1
SCHEMBL2970071 0.80 CHRM4 (0.64) OPRM1OPRL1SIGMAR1ADRA2AMEN1
SCHEMBL31028218 0.80 CHRM4 (0.64) OPRM1OPRL1SIGMAR1ADRA2AMEN1
SCHEMBL29573303 0.80 OPRM1 (0.68) OPRM1OPRL1SIGMAR1ALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7880007-B2 such as 1-bicyclo[2.2.1]hept-2-yl-4-(4-methoxy-2-methyl-phenyl)-piperidine, used for the treatment of chronic obstructive pulmonary disease, asthma, urinary incontinence, vision defects and Alzheimer's disease VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-02-01 US disclosed
US-7880007-B2 such as 1-bicyclo[2.2.1]hept-2-yl-4-(4-methoxy-2-methyl-phenyl)-piperidine, used for the treatment of chronic obstructive pulmonary disease, asthma, urinary incontinence, vision defects and Alzheimer's disease VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-02-01 US disclosed
US-7880007-B2 such as 1-bicyclo[2.2.1]hept-2-yl-4-(4-methoxy-2-methyl-phenyl)-piperidine, used for the treatment of chronic obstructive pulmonary disease, asthma, urinary incontinence, vision defects and Alzheimer's disease VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-02-01 US disclosed
EP-1817032-A2 MODULATORS OF MUSCARINIC RECEPTORS Vertex Pharmaceuticals Incorporated (US) 2007-08-15 EP disclosed
US-20060287303-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2006-12-21 US disclosed
WO-2006058294-A2 MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-06-01 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-20060287303-A1 Modulators of muscarinic receptors CHRM3, CHRM5, CHRM2 OPRM1 66/4885OPRL1 69/4885ADRA1D 94/4885

“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.