SCHEMBL31291663

SCHEMBL31291663

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 3/20 0.48
▸ SIGMAR1 Q99720 2/20 0.48
▸ CHRNB2 P17787 2/20 0.48
▸ CHRNB4 P30926 2/20 0.48
▸ CHRNA3 P32297 2/20 0.48
▸ CHRNA4 P43681 2/20 0.48
▸ KCNH2 Q12809 1/20 0.48
▸ TMEM97 Q5BJF2 1/20 0.48
▸ KDM4E B2RXH2 4/20 0.37
▸ ALDH1A1 P00352 4/20 0.37
▸ HPGD P15428 3/20 0.37
▸ MAPT P10636 3/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ CASP3 P42574 1/20 0.37
▸ SENP8 Q96LD8 1/20 0.37
▸ SENP7 Q9BQF6 1/20 0.37
▸ SENP6 Q9GZR1 1/20 0.37
▸ PRKDC P78527 1/20 0.36

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
SCHEMBL19630854 0.91 SLC6A4 (0.42) SLC6A4SIGMAR1CHRNB2CHRNB4CHRNA3
SCHEMBL19630693 0.83 SLC6A4 (0.65) SLC6A4SIGMAR1CHRNB2CHRNB4CHRNA3
SCHEMBL17793573 0.83 SLC6A4 (0.46) SLC6A4SIGMAR1CHRNB2CHRNB4CHRNA3
SCHEMBL31291766 0.83 SLC6A4 (0.44) SLC6A4SIGMAR1CHRNB2CHRNB4CHRNA3
SCHEMBL17793539 0.83 SLC6A4 (0.54) SLC6A4SIGMAR1CHRNB2CHRNB4CHRNA3
SCHEMBL17793540 0.82 SLC6A4 (0.55) SLC6A4SIGMAR1CHRNB2CHRNB4CHRNA3
SCHEMBL17793570 0.81 SLC6A4 (0.54) SLC6A4SIGMAR1CHRNB2CHRNB4CHRNA3
SCHEMBL31622905 0.80 KDM4E (0.37) SLC6A4SIGMAR1CHRNB2CHRNB4CHRNA3
SCHEMBL26324763 0.80 SLC6A4 (0.41) SLC6A4SIGMAR1CHRNB2CHRNB4CHRNA3
SCHEMBL17793492 0.80 SLC6A4 (0.51) SLC6A4SIGMAR1CHRNB2CHRNB4CHRNA3

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 374/4885SIGMAR1 3/4885CHRNB2 196/4885

“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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