SCHEMBL4843429

SCHEMBL4843429

COC(=O)CC1c2cc(O)ccc2CCC(=O)N1CC(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.36
ESR1 P03372 2/20 0.35
NQO2 P16083 5/20 0.34
MTNR1A P48039 5/20 0.34
MTNR1B P49286 5/20 0.34
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
NOD2 Q9HC29 1/20 0.33
NOD1 Q9Y239 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
LMNA P02545 2/20 0.32
TP53 P04637 1/20 0.32
MDM2 Q00987 1/20 0.32

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
SCHEMBL3407380 0.71 MTNR1A (0.57) ESR1NQO2MTNR1AMTNR1BMAOA
SCHEMBL3407376 0.71 MTNR1A (0.57) ESR1NQO2MTNR1AMTNR1BMAOA
SCHEMBL3412841 0.71 MTNR1A (0.57) ESR1NQO2MTNR1AMTNR1BMAOA
SCHEMBL3433701 0.69 TRPV1 (0.49) TRPV1ESR1NQO2MTNR1AMTNR1B
SCHEMBL3411168 0.69 TRPV1 (0.49) TRPV1ESR1NQO2MTNR1AMTNR1B
SCHEMBL3411164 0.69 TRPV1 (0.49) TRPV1ESR1NQO2MTNR1AMTNR1B
SCHEMBL13424161 0.69 MTNR1A (0.48) TRPV1ESR1NQO2MTNR1AMTNR1B
SCHEMBL7555403 0.68 DRD3 (0.46) OPRM1
SCHEMBL981045 0.68 ITGB3 (0.50) ESR1OPRM1OPRD1
SCHEMBL538079 0.68 ITGB3 (0.39) NQO2MTNR1AMTNR1BOPRM1OPRD1

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-7368566-B2 Process and intermediates for preparing benzazepines SMITHKLINE BEECHAM CORPORATION (US) 2008-05-06 US disclosed
US-20060194786-A1 Process and intermediates for preparing benzazepines SMITHKLINE BEECHAM CORPORATION 2006-08-31 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-20060194786-A1 Process and intermediates for preparing benzazepines CYP2E1, CYP1B1, CYP3A4 TRPV1 536/4885ESR1 966/4885NQO2 1460/4885

“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.