SCHEMBL23901648

SCHEMBL23901648

CC(C)N1CCC(O)(c2ccc(Br)cc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 14/20 0.63
OPRM1 P35372 12/20 0.63
OPRD1 P41143 12/20 0.63
OPRK1 P41145 12/20 0.63
CCR1 P32246 1/20 0.48
CYP2D6 P10635 1/20 0.46

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
SCHEMBL24422204 0.84 CYP2D6 (0.58) OPRL1OPRM1OPRD1OPRK1CYP2D6
SCHEMBL25453172 0.84 OPRL1 (0.65) OPRL1OPRM1OPRD1OPRK1CYP2D6
SCHEMBL10057646 0.83 OPRM1 (0.63) OPRL1OPRM1OPRD1OPRK1CCR1
SCHEMBL5962422 0.83 OPRM1 (0.63) OPRL1OPRM1OPRD1OPRK1CCR1
SCHEMBL7696081 0.82 OPRL1 (0.73) OPRL1OPRM1OPRD1OPRK1CYP2D6
SCHEMBL23384021 0.81 OPRM1 (0.67) OPRL1OPRM1OPRD1OPRK1
SCHEMBL19491063 0.81 OPRL1 (0.53) OPRL1OPRM1OPRD1OPRK1CCR1
SCHEMBL578244 0.80 OPRM1 (0.55) OPRL1OPRM1OPRD1OPRK1CCR1
SCHEMBL23384014 0.80 OPRL1 (0.68) OPRL1OPRM1OPRD1OPRK1CYP2D6
SCHEMBL19491346 0.80 OPRL1 (0.43) OPRL1OPRM1OPRD1OPRK1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230143470-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ NATIONAL INSTITUTES OF HEALTH 2023-05-11 US disclosed
US-20230143470-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ NATIONAL INSTITUTES OF HEALTH 2023-05-11 US disclosed
WO-2021202600-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ THE SCRIPPS RESEARCH INSTITUTE (US) 2021-10-07 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-20230143470-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ HAVCR2, CD44, ENGASE OPRL1 4829/4885OPRM1 4657/4885OPRD1 4774/4885

“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.