SCHEMBL24775499

SCHEMBL24775499

CC(C)(C)N1CCCC1c1cc(O)ccc1C1CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 2/20 0.42
▸ OPRD1 P41143 2/20 0.42
▸ OPRK1 P41145 2/20 0.42
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ THPO P40225 1/20 0.37
▸ CHRNB2 P17787 3/20 0.36
▸ CHRNA4 P43681 3/20 0.36
▸ HSP90AA1 P07900 2/20 0.35
▸ HSP90AB1 P08238 2/20 0.35
▸ CHRNB4 P30926 1/20 0.35
▸ CHRNA3 P32297 1/20 0.35

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
SCHEMBL24774474 0.84 SIGMAR1 (0.37) CHRNB2CHRNA4
SCHEMBL24774489 0.83 TMEM97 (0.43) CHRNB2CHRNA4
SCHEMBL24774477 0.83 OPRM1 (0.42) OPRM1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL24775976 0.80 CHRNA7 (0.39) OPRM1OPRK1CHRNB2CHRNA4CHRNB4
SCHEMBL24775973 0.80 CHRNA7 (0.39) OPRM1OPRK1CHRNB2CHRNA4CHRNB4
SCHEMBL24775160 0.80 CHRNA7 (0.39) OPRM1OPRK1CHRNB2CHRNA4CHRNB4
SCHEMBL24775427 0.78 RIPK1 (0.33) —
SCHEMBL24775980 0.76 CHRNA7 (0.38) OPRM1OPRK1CHRNB2CHRNA4CHRNB4
SCHEMBL24775978 0.76 CHRNA7 (0.38) OPRM1OPRK1CHRNB2CHRNA4CHRNB4
SCHEMBL24775422 0.76 OPRM1 (0.40) OPRM1OPRK1

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-20220402915-A1 BCL-2 INHIBITORS BEONE MEDICINES I GMBH (CH) 2022-12-22 — — 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-20220402915-A1 BCL-2 INHIBITORS BCL2, BCL2L1, BCL2L2 OPRM1 4833/4885OPRD1 4591/4885OPRK1 4318/4885

“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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