SCHEMBL3004252

SCHEMBL3004252

O=C1CC(O)C2(CCN(Cc3ccccc3)CC2)N1c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.47
OPRM1 P35372 2/20 0.47
BACE1 P56817 1/20 0.47
OPRL1 P41146 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
OPRD1 P41143 1/20 0.46
OPRK1 P41145 1/20 0.46
POLB P06746 1/20 0.45
CYP3A4 P08684 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CYP2D6 P10635 2/20 0.44
DRD4 P21917 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM3 P20309 1/20 0.43
DOCK5 Q9H7D0 1/20 0.42

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
SCHEMBL14232652 0.81 MMP13 (0.35) POLB
SCHEMBL7887972 0.77 BACE1 (0.47) SIGMAR1OPRM1BACE1OPRL1SMN1; SMN2
SCHEMBL7887975 0.77 BACE1 (0.47) SIGMAR1OPRM1BACE1OPRL1SMN1; SMN2
Hydrochloric Acid SCHEMBL7883505 0.76 POLB (0.47) SIGMAR1OPRM1BACE1OPRL1SMN1; SMN2
Hydrochloric Acid SCHEMBL7883500 0.76 POLB (0.47) SIGMAR1OPRM1BACE1OPRL1SMN1; SMN2
SCHEMBL7014310 0.75 OPRL1 (0.49) SIGMAR1OPRM1OPRL1OPRD1OPRK1
SCHEMBL7014315 0.75 OPRL1 (0.49) SIGMAR1OPRM1OPRL1OPRD1OPRK1
SCHEMBL7886451 0.74 SIGMAR1 (0.52) SIGMAR1OPRM1BACE1OPRL1SMN1; SMN2
Hydrochloric Acid SCHEMBL7883839 0.73 SIGMAR1 (0.51) SIGMAR1OPRM1BACE1OPRL1OPRD1
SCHEMBL7878798 0.73 OPRM1 (0.47) SIGMAR1OPRM1BACE1OPRL1OPRD1

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-7786308-B2 Muscarinic modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-31 US disclosed
US-7786308-B2 Muscarinic modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-31 US disclosed
US-7786308-B2 Muscarinic modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-31 US disclosed
US-20080090826-A9 Muscarinic modulators VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2008-04-17 US disclosed
US-20080090826-A9 Muscarinic modulators VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2008-04-17 US disclosed
EP-1863490-A2 MUSCARINIC MODULATORS Vertex Pharmaceuticals Incorporated (US) 2007-12-12 EP disclosed
US-20070054911-A1 Muscarinic modulators VERTEX PHARMACEUTICALS INCORPORATED 2007-03-08 US disclosed
US-20070054911-A1 Muscarinic modulators VERTEX PHARMACEUTICALS INCORPORATED 2007-03-08 US disclosed
US-20070054911-A1 Muscarinic modulators VERTEX PHARMACEUTICALS INCORPORATED 2007-03-08 US disclosed
WO-2006105035-A2 MUSCARINIC MODULATORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-10-05 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-20070054911-A1 Muscarinic modulators CHRM3, CHRM5, CHRM4 SIGMAR1 285/4885OPRM1 75/4885BACE1 2481/4885
US-20080090826-A9 Muscarinic modulators CHRM3, CHRM5, CHRM4 SIGMAR1 285/4885OPRM1 75/4885BACE1 2481/4885

“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.