SCHEMBL14479493

SCHEMBL14479493

CC(=O)C(c1ccccc1)N1CCC(C)(O)CC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.53
OPRK1 P41145 6/20 0.53
OPRL1 P41146 6/20 0.53
LMNA P02545 3/20 0.49
ALDH1A1 P00352 5/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C9 P11712 1/20 0.48
GAA P10253 1/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 1/20 0.46
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
OPRD1 P41143 5/20 0.45
CYP1A2 P05177 1/20 0.42
TSHR P16473 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
SCHEMBL890213 1.00 OPRM1 (0.53) OPRM1OPRK1OPRL1LMNAALDH1A1
SCHEMBL303920 0.89 LMNA (0.63) OPRM1OPRK1OPRL1LMNAALDH1A1
SCHEMBL2707046 0.89 LMNA (0.63) OPRM1OPRK1OPRL1LMNAALDH1A1
SCHEMBL13748125 0.86 OPRM1 (0.52) OPRM1OPRK1OPRL1LMNAALDH1A1
SCHEMBL14478021 0.85 OPRM1 (0.51) OPRM1OPRK1OPRL1LMNAALDH1A1
SCHEMBL888780 0.85 OPRM1 (0.51) OPRM1OPRK1OPRL1LMNAALDH1A1
SCHEMBL13160613 0.84 OPRM1 (0.50) OPRM1OPRK1OPRL1LMNAALDH1A1
SCHEMBL8910357 0.84 OPRM1 (0.50) OPRM1OPRK1OPRL1LMNAALDH1A1
SCHEMBL8917644 0.84 OPRM1 (0.50) OPRM1OPRK1OPRL1LMNAALDH1A1
SCHEMBL10076713 0.82 LMNA (0.71) LMNAALDH1A1CYP3A4CYP2D6CYP2C9

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-8574563-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-11-05 US disclosed
US-20130004457-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2013-01-03 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-20130004457-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS OPRM1 2169/4885OPRK1 1789/4885OPRL1 4100/4885

“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.