SCHEMBL31714549

SCHEMBL31714549

Nc1cc2c(cc1Br)CCC(=O)N2C1CC1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 2/20 0.38
▸ OPRK1 P41145 2/20 0.38
▸ OPRL1 P41146 2/20 0.38
▸ NOTUM Q6P988 2/20 0.36

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
SCHEMBL1744184 0.76 CYP11B2 (0.40) —
SCHEMBL30896361 0.76 CYP11B2 (0.40) —
SCHEMBL31714558 0.75 OPRM1 (0.46) OPRM1OPRK1OPRL1NOTUM
SCHEMBL31714399 0.73 ATAD2 (0.60) —
SCHEMBL31714507 0.73 ATAD2 (0.36) —
SCHEMBL31714397 0.71 MAPK1 (0.43) OPRM1OPRK1OPRL1
SCHEMBL3342601 0.71 ATAD2 (0.40) —
SCHEMBL18019500 0.70 ATAD2 (0.52) OPRM1OPRK1OPRL1NOTUM
SCHEMBL2675331 0.67 ATAD2 (0.52) OPRM1OPRK1OPRL1NOTUM
SCHEMBL1744949 0.66 CA9 (0.40) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250333407-A1 Compounds and Their Use for Treatment of Hemoglobinopathies BRISTOL-MYERS SQUIBB COMPANY (US) 2025-10-30 — — 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-20250333407-A1 Compounds and Their Use for Treatment of Hemoglobinopathies HBG1, HBG2, HBB OPRM1 1778/4885OPRK1 2058/4885OPRL1 3570/4885

“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.

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