SCHEMBL4934890

SCHEMBL4934890

c1ccc2c(c1)CCN2C1CCCCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.58
HTR2B P41595 3/20 0.58
OPRM1 P35372 3/20 0.56
OPRK1 P41145 3/20 0.56
OPRL1 P41146 3/20 0.56
OPRD1 P41143 1/20 0.56
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
POLB P06746 1/20 0.46
HTR2A P28223 1/20 0.46
SCD O00767 1/20 0.46
NOS1 P29475 1/20 0.45
TSHR P16473 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CDK4 P11802 1/20 0.44
ALOX15 P16050 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
SCHEMBL21307179 0.91 HTR2C (0.60) HTR2CHTR2BOPRM1OPRK1OPRL1
SCHEMBL21307175 0.91 HTR2C (0.60) HTR2CHTR2BOPRM1OPRK1OPRL1
SCHEMBL3723794 0.90 OPRM1 (0.65) HTR2CHTR2BOPRM1OPRK1OPRL1
SCHEMBL16948341 0.89 HTR2C (0.59) HTR2CHTR2BOPRM1OPRK1OPRL1
SCHEMBL10653852 0.87 HTR2C (0.69) HTR2CHTR2BOPRM1OPRK1OPRL1
SCHEMBL15847706 0.86 HTR2C (0.46) HTR2CHTR2BOPRM1OPRK1OPRL1
SCHEMBL15847707 0.86 HTR2C (0.46) HTR2CHTR2BOPRM1OPRK1OPRL1
SCHEMBL12638317 0.85 HTR2C (0.71) HTR2CHTR2BOPRM1OPRK1OPRL1
SCHEMBL10652419 0.85 HTR2C (0.71) HTR2CHTR2BOPRM1OPRK1OPRL1
SCHEMBL3870991 0.84 OPRM1 (0.60) HTR2CHTR2BOPRM1OPRK1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394828-B2 Quinoline-derived amide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA, NV (BE) 2013-03-12 US disclosed
US-20080300236-A1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR CODD ELLEN 2008-12-04 US 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-20080300236-A1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR TRPV1, OPRL1, TRPV2 HTR2C 279/4885HTR2B 428/4885OPRM1 31/4885

“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.