SCHEMBL31291766

SCHEMBL31291766

Oc1ccc2oc3c(c2c1)CCN1C[C@H]2C[C@@H]3[C@@H]1C2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 5/20 0.44
▸ OPRM1 P35372 1/20 0.44
▸ OPRK1 P41145 1/20 0.44
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ PRKD1 Q15139 3/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ LMNA P02545 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ CDK5 Q00535 1/20 0.34
▸ CDK5R1 Q15078 1/20 0.34
▸ PRKD2 Q9BZL6 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ ESR2 Q92731 3/20 0.32
▸ ESR1 P03372 2/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ SIGMAR1 Q99720 2/20 0.31
▸ CHRNB2 P17787 1/20 0.31

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
SCHEMBL17793523 0.91 CYP1A2 (0.39) SLC6A4OPRM1OPRK1CYP1A2CYP3A4
SCHEMBL31291663 0.83 SLC6A4 (0.48) SLC6A4ALDH1A1SMN1; SMN2SIGMAR1CHRNB2
SCHEMBL17793472 0.82 SLC6A4 (0.43) SLC6A4OPRM1OPRK1CYP1A2CYP3A4
SCHEMBL17793522 0.82 SLC6A4 (0.52) SLC6A4OPRM1OPRK1CYP1A2CYP3A4
SCHEMBL17793538 0.82 SLC6A4 (0.63) SLC6A4OPRM1OPRK1CYP1A2CYP3A4
SCHEMBL29875858 0.82 SLC6A4 (0.63) SLC6A4OPRM1OPRK1CYP1A2CYP3A4
SCHEMBL29875855 0.82 SLC6A4 (0.63) SLC6A4OPRM1OPRK1CYP1A2CYP3A4
SCHEMBL17793544 0.80 SLC6A4 (0.54) SLC6A4OPRM1OPRK1CYP1A2CYP3A4
SCHEMBL17793542 0.79 SLC6A4 (0.48) SLC6A4OPRM1OPRK1CYP1A2CYP3A4
SCHEMBL17793471 0.79 SLC6A4 (0.53) SLC6A4OPRM1OPRK1CYP1A2CYP3A4

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-20240376116-A1 IBOGAINE AND NORIBOGAINE ANALOGS AND METHODS OF USE DALRIADA DRUG DISCOVERY, INC. (CA) 2024-11-14 — — 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-20240376116-A1 IBOGAINE AND NORIBOGAINE ANALOGS AND METHODS OF USE OPRM1, OPRD1, SIGMAR1 SLC6A4 374/4885OPRM1 1/4885OPRK1 4/4885

“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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