SCHEMBL31622901

SCHEMBL31622901

CC1Cc2c(oc3ccc(O)cc23)[C@@H]2C[C@H]3C[C@@H]2N1C3

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ SLC6A4 P31645 3/20 0.35
▸ PIK3CA P42336 1/20 0.34
▸ PIK3CG P48736 1/20 0.34
▸ OPRM1 P35372 1/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ PRKD1 Q15139 3/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ LMNA P02545 2/20 0.32
▸ TP53 P04637 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ CDK5 Q00535 1/20 0.32
▸ CDK5R1 Q15078 1/20 0.32
▸ PRKD2 Q9BZL6 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ MAP2K7 O14733 1/20 0.31
▸ ESR1 P03372 2/20 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
SCHEMBL26927708 0.91 CYP1A2 (0.36) CYP1A2CYP3A4CYP2C19SLC6A4PIK3CA
SCHEMBL31622905 0.84 KDM4E (0.37) CYP3A4SLC6A4ALDH1A1LMNATP53
SCHEMBL17793566 0.83 SLC6A4 (0.46) CYP1A2CYP3A4CYP2C19SLC6A4PIK3CA
SCHEMBL17793530 0.83 SLC6A4 (0.46) CYP1A2CYP3A4CYP2C19SLC6A4PIK3CA
SCHEMBL17793531 0.83 SLC6A4 (0.46) CYP1A2CYP3A4CYP2C19SLC6A4PIK3CA
SCHEMBL17793574 0.82 SLC6A4 (0.37) CYP1A2CYP3A4CYP2C19SLC6A4PIK3CA
SCHEMBL19627194 0.79 CYP1A2 (0.32) CYP1A2CYP3A4CYP2C19SLC6A4PIK3CA
SCHEMBL19627113 0.78 CYP1A2 (0.33) CYP1A2CYP3A4CYP2C19SLC6A4PIK3CA
SCHEMBL17793521 0.78 CYP1A2 (0.33) CYP1A2CYP3A4CYP2C19SLC6A4PIK3CA
SCHEMBL19630899 0.78 CYP1A2 (0.33) CYP1A2CYP3A4CYP2C19SLC6A4PIK3CA

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-20250197395-A1 IBOGAINE AND NORIBOGAINE ANALOGS AND USES THEREOF ATAI THERAPEUTICS INC (US) 2025-06-19 — — 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-20250197395-A1 IBOGAINE AND NORIBOGAINE ANALOGS AND USES THEREOF OPRM1, OPRK1, OPRD1 CYP1A2 144/4885CYP3A4 297/4885CYP2C19 62/4885

“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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