SCHEMBL31622897

SCHEMBL31622897

COc1ccc2oc3c(c2c1)CCN1C(=O)[C@H]2C[C@@H]3[C@@H]1C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ HPGD P15428 3/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ CASP3 P42574 1/20 0.41
▸ SENP8 Q96LD8 1/20 0.41
▸ SENP7 Q9BQF6 1/20 0.41
▸ SENP6 Q9GZR1 1/20 0.41
▸ PRKDC P78527 1/20 0.39
▸ TRPA1 O75762 1/20 0.39
▸ TRPV1 Q8NER1 1/20 0.39
▸ HSD17B10 Q99714 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ DYRK1A Q13627 1/20 0.38
▸ MAOA P21397 1/20 0.38
▸ DRD2 P14416 6/20 0.37

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
SCHEMBL31622909 0.77 SIGMAR1 (0.53) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL31291663 0.76 SLC6A4 (0.48) KDM4EALDH1A1HPGDNPC1MAPT
SCHEMBL19630694 0.76 KDM4E (0.36) KDM4EALDH1A1HPGDNPC1MAPT
SCHEMBL19630854 0.74 SLC6A4 (0.42) KDM4EALDH1A1HPGDNPC1MAPT
SCHEMBL31291619 0.74 ALDH1A1 (0.41) KDM4EALDH1A1HPGDNPC1MAPT
SCHEMBL26837612 0.70 HRH4 (0.41) KDM4EALDH1A1HPGDNPC1MAPT
SCHEMBL31622905 0.70 KDM4E (0.37) KDM4EALDH1A1HPGDNPC1MAPT
SCHEMBL19630693 0.69 SLC6A4 (0.65) TRPA1TRPV1
SCHEMBL17793539 0.69 SLC6A4 (0.54) TRPA1TRPV1
SCHEMBL17793492 0.68 SLC6A4 (0.51) TRPA1DRD2DRD4DRD3HTR1A

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 KDM4E 3785/4885ALDH1A1 349/4885HPGD 806/4885

“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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