SCHEMBL31291706

SCHEMBL31291706

O=C1Cc2c([nH]c3ccc(C(F)(F)F)cc23)[C@@H]2C[C@H]3C[C@@H]2N1C3

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MDH2 P40926 1/20 0.41
▸ GSK3B P49841 12/20 0.39
▸ CDK5 Q00535 12/20 0.39
▸ CDK5R1 Q15078 12/20 0.39
▸ CCNB2 O95067 10/20 0.39
▸ CDK1 P06493 10/20 0.39
▸ CCNB1 P14635 10/20 0.39
▸ CCNB3 Q8WWL7 10/20 0.39
▸ GSK3A P49840 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ TRPV1 Q8NER1 1/20 0.37
▸ CYP2C9 P11712 1/20 0.36
▸ SLC6A4 P31645 1/20 0.35
▸ OPRM1 P35372 1/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ KIF11 P52732 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
SCHEMBL31622891 0.92 CA12 (0.39) KIF11
SCHEMBL31622890 0.92 CA12 (0.39) KIF11
SCHEMBL31291705 0.86 MAPKAPK2 (0.41) SLC6A4OPRM1OPRK1KIF11
SCHEMBL31291638 0.81 SIGMAR1 (0.53) MDH2GSK3BCDK5CDK5R1CCNB2
SCHEMBL31291768 0.81 SIGMAR1 (0.53) MDH2GSK3BCDK5CDK5R1CCNB2
SCHEMBL31291634 0.79 SLC6A4 (0.50) KDM4ETRPV1SLC6A4OPRM1OPRK1
SCHEMBL31291696 0.79 FEN1 (0.35) KDM4ESLC6A4OPRM1OPRK1KIF11
SCHEMBL31291729 0.75 NCOA1 (0.43) KDM4ESLC6A4OPRM1OPRK1
SCHEMBL31291737 0.71 SLC6A4 (0.40) SLC6A4
SCHEMBL15180316 0.69 SIRT1 (0.38) MDH2KDM4ESLC6A4OPRM1OPRK1

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 MDH2 4389/4885GSK3B 766/4885CDK5 3944/4885

“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.

Send feedback