SCHEMBL7168539

SCHEMBL7168539

COc1ccc2c(c1)C(O)(c1cccc(F)c1)CC2

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.44
PIN1 Q13526 3/20 0.40
GRIN2B Q13224 2/20 0.40
OPRM1 P35372 2/20 0.40
OPRD1 P41143 2/20 0.40
OPRK1 P41145 2/20 0.40
OPRL1 P41146 2/20 0.40
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
SIGMAR1 Q99720 2/20 0.39
NFE2L2 Q16236 1/20 0.38
BRD4 O60885 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL6643609 0.85 CYP3A4 (0.52) CYP3A4OPRM1OPRD1OPRK1OPRL1
SCHEMBL8865370 0.80 OPRM1 (0.49) CYP3A4PIN1OPRM1OPRD1OPRK1
SCHEMBL6300172 0.78 SIGMAR1 (0.46) CYP3A4OPRM1OPRD1OPRK1OPRL1
SCHEMBL8120151 0.77 CYP3A4 (0.70) CYP3A4CYP11B1CYP11B2
SCHEMBL16798079 0.75 PDK2 (0.44) CYP3A4PIN1CYP11B1CYP11B2SIGMAR1
SCHEMBL7171860 0.74 PDK2 (0.43) CYP3A4SIGMAR1
SCHEMBL28076879 0.72 CYP3A4 (0.56) CYP3A4OPRM1OPRD1OPRK1OPRL1
SCHEMBL13672755 0.71 CYP3A4 (0.53) CYP3A4OPRM1OPRD1OPRK1OPRL1
SCHEMBL1144300 0.71 CYP3A4 (0.53) CYP3A4OPRM1OPRD1OPRK1OPRL1
SCHEMBL2981802 0.70 POLA1 (0.50) CYP3A4OPRM1OPRK1SIGMAR1ALDH1A1

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-6576643-B2 Compounds containing dibenzo(A,D)cycloheptene or dibenz(B,F)oxepine derivatives are useful for treating osteoporosis, cardiovascular diosrders, cancer and inflammation SMITHKLINE BEECHAM CORPORATION 2003-06-10 US disclosed
US-20020091264-A1 Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION 2002-07-11 US disclosed
EP-1025090-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2000-11-08 EP disclosed
EP-1025090-A1 VITRONECTIN RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2000-08-09 EP disclosed
WO-1999015508-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-04-01 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 (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-20020091264-A1 Vitronectin receptor antagonists CALCR, ADGRF1, CALCRL CYP3A4 4287/4885PIN1 4124/4885GRIN2B 551/4885

“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.