SCHEMBL2980989

SCHEMBL2980989

O=C1CCC2(CCN(C3CCCCCC3)CC2)c2ccccc2N1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.51
OPRK1 P41145 6/20 0.51
OPRD1 P41143 3/20 0.51
OGFRL1 Q5TC84 2/20 0.51
OPRL1 P41146 6/20 0.49
SIGMAR1 Q99720 3/20 0.44
SLC18A3 Q16572 1/20 0.44

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
SCHEMBL12084315 0.88 OPRM1 (0.52) OPRM1OPRK1OPRD1OGFRL1OPRL1
SCHEMBL13203976 0.85 OPRM1 (0.39) OPRM1OPRK1OPRD1OGFRL1OPRL1
SCHEMBL8524452 0.80 PDE7A (0.50) OPRM1OPRK1OPRL1
SCHEMBL13203964 0.79 CHRM1 (0.50)
SCHEMBL12084593 0.79 TNKS (0.44) OPRM1OPRK1OPRD1OGFRL1OPRL1
SCHEMBL13203923 0.78 KDM4E (0.42) OPRM1OPRK1OPRL1SIGMAR1SLC18A3
SCHEMBL3816106 0.78 SIGMAR1 (0.68) OPRM1OPRL1SIGMAR1SLC18A3
SCHEMBL8213464 0.77 CALCRL (0.43) OPRM1OPRK1OPRD1OGFRL1OPRL1
SCHEMBL8221857 0.76 CALCRL (0.46) OPRM1OPRK1OPRD1OGFRL1OPRL1
SCHEMBL13203944 0.76 CHRM1 (0.46) OPRM1OPRK1OPRL1

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-7786107-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-31 US disclosed
US-7786107-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-31 US disclosed
US-7786107-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-31 US disclosed
US-20100063021-A9 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2010-03-11 US disclosed
US-20100063021-A9 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2010-03-11 US disclosed
US-20100063021-A9 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2010-03-11 US disclosed
US-20080113958-A1 Treating neurodegenerative diseases, psychological disorders, pain, glaucoma, dru eye, dry mouth, Sjogren's syndrome, asthma, bradycardia, wound healing, gastrointestinal disorders; compounds based on amide- or urea-functional 1,2,3,4-tetrahydrospiro[benzo[b]azepine-5,4'-piperidine] rings VERTEX PHARMACEUTICALS INCORPORATED 2008-05-15 US disclosed
US-20080113958-A1 Treating neurodegenerative diseases, psychological disorders, pain, glaucoma, dru eye, dry mouth, Sjogren's syndrome, asthma, bradycardia, wound healing, gastrointestinal disorders; compounds based on amide- or urea-functional 1,2,3,4-tetrahydrospiro[benzo[b]azepine-5,4'-piperidine] rings VERTEX PHARMACEUTICALS INCORPORATED 2008-05-15 US disclosed
US-20080113958-A1 Treating neurodegenerative diseases, psychological disorders, pain, glaucoma, dru eye, dry mouth, Sjogren's syndrome, asthma, bradycardia, wound healing, gastrointestinal disorders; compounds based on amide- or urea-functional 1,2,3,4-tetrahydrospiro[benzo[b]azepine-5,4'-piperidine] rings VERTEX PHARMACEUTICALS INCORPORATED 2008-05-15 US disclosed
WO-2008021545-A2 MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-02-21 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 (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-20100063021-A9 Modulators of muscarinic receptors CHRM3, CHRM5, CHRM2 OPRM1 66/4885OPRK1 114/4885OPRD1 224/4885
US-20080113958-A1 Treating neurodegenerative diseases, psychological disorders, pain, glaucoma, dru eye, dry mouth, Sjogren's syndrome, asthma, bradycardia, wound healing, gastrointestinal disorders; compounds based on amide- or urea-functional 1,2,3,4-tetrahydrospiro[benzo[b]azepine-5,4'-piperidine] rings HRH2, ACHE, CHRM2 OPRM1 73/4885OPRK1 19/4885OPRD1 37/4885

“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.