SCHEMBL4931452

SCHEMBL4931452

S=c1[nH]c2ccc(Cl)cc2n1C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 10/20 0.59
CHRM1 P11229 1/20 0.58
OPRK1 P41145 2/20 0.56
OPRL1 P41146 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.55
POLB P06746 1/20 0.55
DRD2 P14416 5/20 0.52
DRD4 P21917 5/20 0.52
DRD3 P35462 4/20 0.52
PGR P06401 1/20 0.47

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
SCHEMBL8884316 0.86 OPRM1 (0.78) OPRM1CHRM1OPRK1OPRL1DRD2
SCHEMBL6504966 0.78 OPRM1 (0.70) OPRM1CHRM1OPRK1OPRL1DRD2
SCHEMBL6528091 0.77 OPRM1 (0.66) OPRM1CHRM1OPRK1OPRL1SMN1; SMN2
SCHEMBL6161133 0.77 CHRM1 (0.92) OPRM1CHRM1OPRK1OPRL1DRD2
SCHEMBL4930480 0.73 SMN1; SMN2 (0.60) OPRM1CHRM1OPRK1SMN1; SMN2PGR
SCHEMBL11037100 0.73 CHRM1 (0.52) OPRM1CHRM1OPRK1SMN1; SMN2POLB
SCHEMBL11507484 0.73 DRD2 (0.86) OPRM1CHRM1OPRK1DRD2DRD4
SCHEMBL3665096 0.72 OPRM1 (1.00) OPRM1CHRM1OPRK1OPRL1DRD2
SCHEMBL11179730 0.70 OPRM1 (0.72) OPRM1CHRM1OPRK1OPRL1DRD2
SCHEMBL7634043 0.70 OPRM1 (0.87) OPRM1CHRM1OPRK1OPRL1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080021069-A1 Receptor Function Regulating Agent TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 US disclosed
US-20080021069-A1 Receptor Function Regulating Agent TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 US disclosed
US-20080021069-A1 Receptor Function Regulating Agent TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 US disclosed
EP-1810677-A1 RECEPTOR FUNCTION REGULATING AGENT Takeda Pharmaceutical Company Limited (JP) 2007-07-25 EP disclosed
EP-1810677-A1 RECEPTOR FUNCTION REGULATING AGENT Takeda Pharmaceutical Company Limited (JP) 2007-07-25 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 (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-20080021069-A1 Receptor Function Regulating Agent GPR119, INSR, GPR65 OPRM1 626/4885CHRM1 1348/4885OPRK1 625/4885

“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.