SCHEMBL31291729

SCHEMBL31291729

COc1cc2c3c([nH]c2cc1F)[C@@H]1C[C@H]2C[C@@H]1N(C2)C(=O)C3

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NCOA1 Q15788 1/20 0.43
▸ NCOA3 Q9Y6Q9 1/20 0.43
▸ SLC6A4 P31645 5/20 0.35
▸ SIGMAR1 Q99720 3/20 0.35
▸ TMEM97 Q5BJF2 2/20 0.35
▸ CHRNB2 P17787 1/20 0.35
▸ CHRNB4 P30926 1/20 0.35
▸ CHRNA3 P32297 1/20 0.35
▸ CHRNA4 P43681 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ MAPKAPK2 P49137 1/20 0.34
▸ ABCG2 Q9UNQ0 4/20 0.33
▸ HTR2A P28223 3/20 0.31
▸ HTR2C P28335 3/20 0.31
▸ HTR2B P41595 2/20 0.31
▸ ADRB1 P08588 1/20 0.31
▸ HTR1A P08908 1/20 0.31
▸ ADRA2C P18825 1/20 0.31
▸ HTR1D P28221 1/20 0.31
▸ HTR7 P34969 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
SCHEMBL31291768 0.81 SIGMAR1 (0.53) SLC6A4SIGMAR1TMEM97CHRNB2CHRNB4
SCHEMBL31291638 0.81 SIGMAR1 (0.53) SLC6A4SIGMAR1TMEM97CHRNB2CHRNB4
SCHEMBL31291622 0.80 SLC6A4 (0.49) NCOA1NCOA3SLC6A4SIGMAR1TMEM97
SCHEMBL31291696 0.80 FEN1 (0.35) SLC6A4KCNH2MAPKAPK2HTR2AHTR2C
SCHEMBL31291705 0.80 MAPKAPK2 (0.41) SLC6A4MAPKAPK2HTR2AHTR2CHTR2B
SCHEMBL31291737 0.80 SLC6A4 (0.40) SLC6A4SIGMAR1TMEM97CHRNB2CHRNB4
SCHEMBL31622891 0.75 CA12 (0.39) MAPT
SCHEMBL31622890 0.75 CA12 (0.39) MAPT
SCHEMBL31291706 0.75 MDH2 (0.41) SLC6A4OPRM1OPRK1KDM4E
SCHEMBL31291704 0.69 SIGMAR1 (0.53) SLC6A4SIGMAR1TMEM97CHRNB2CHRNB4

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 NCOA1 3566/4885NCOA3 2136/4885SLC6A4 374/4885

“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