SCHEMBL14664376

SCHEMBL14664376

CCCC1CC2CC3c4[nH]c5ccc(O)cc5c4CCN(C2)C13

nearest known ligand 0.85

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 10/20 0.85
▸ OPRM1 P35372 1/20 0.85
▸ OPRK1 P41145 1/20 0.85
▸ SIGMAR1 Q99720 2/20 0.65
▸ CHRNB2 P17787 1/20 0.65
▸ CHRNB4 P30926 1/20 0.65
▸ CHRNA3 P32297 1/20 0.65
▸ CHRNA4 P43681 1/20 0.65
▸ KCNH2 Q12809 1/20 0.65
▸ TMEM97 Q5BJF2 1/20 0.65
▸ HTR2A P28223 4/20 0.47
▸ HTR2C P28335 2/20 0.47
▸ CYP2D6 P10635 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ ACHE P22303 1/20 0.43

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
Noribogaine SCHEMBL29929979 0.92 SLC6A4 (1.00) SLC6A4OPRM1OPRK1SIGMAR1CHRNB2
Noribogaine SCHEMBL29363147 0.92 SLC6A4 (1.00) SLC6A4OPRM1OPRK1SIGMAR1CHRNB2
Noribogaine SCHEMBL12938454 0.92 SLC6A4 (1.00) SLC6A4OPRM1OPRK1SIGMAR1CHRNB2
Noribogaine SCHEMBL17145169 0.92 SLC6A4 (1.00) SLC6A4OPRM1OPRK1SIGMAR1CHRNB2
Noribogaine SCHEMBL10036152 0.92 SLC6A4 (1.00) SLC6A4OPRM1OPRK1SIGMAR1CHRNB2
Noribogaine SCHEMBL31738806 0.92 SLC6A4 (1.00) SLC6A4OPRM1OPRK1SIGMAR1CHRNB2
Noribogaine SCHEMBL10059710 0.92 SLC6A4 (1.00) SLC6A4OPRM1OPRK1SIGMAR1CHRNB2
Noribogaine SCHEMBL15070074 0.92 SLC6A4 (1.00) SLC6A4OPRM1OPRK1SIGMAR1CHRNB2
Noribogaine SCHEMBL116220 0.92 SLC6A4 (1.00) SLC6A4OPRM1OPRK1SIGMAR1CHRNB2
Noribogaine SCHEMBL13258554 0.92 SLC6A4 (1.00) SLC6A4OPRM1OPRK1SIGMAR1CHRNB2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9783535-B2 Substituted noribogaine DEMERX, INC. 2017-10-10 — — US disclosed
US-20150361080-A1 SUBSTITUTED NORIBOGAINE DEMERX, INC. (US) 2015-12-17 — — US disclosed
US-20150329536-A1 SUBSTITUTED NORIBOGAINE DEMERX, INC. 2015-11-19 — — US disclosed
US-9045481-B2 Substituted noribogaine DEMERX, INC. (US) 2015-06-02 — — US disclosed
US-8940728-B2 Substituted noribogaine DEMERX, INC. (US) 2015-01-27 — — US disclosed
US-20140179685-A1 SUBSTITUTED NORIBOGAINE DEMERX, INC. 2014-06-26 — — US disclosed
US-20140179684-A1 SUBSTITUTED NORIBOGAINE DEMERX, INC. (US) 2014-06-26 — — US disclosed
US-8362007-B1 Substituted noribogaine DEMERX, INC. (US) 2013-01-29 — — 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 (4 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-20140179685-A1 SUBSTITUTED NORIBOGAINE UGT2B7, GNG2, UGT1A3 SLC6A4 466/4885OPRM1 25/4885OPRK1 33/4885
US-20150329536-A1 SUBSTITUTED NORIBOGAINE UGT2B7, GNG2, UGT1A3 SLC6A4 466/4885OPRM1 25/4885OPRK1 33/4885
US-20150361080-A1 SUBSTITUTED NORIBOGAINE UGT2B7, GNG2, UGT1A3 SLC6A4 466/4885OPRM1 25/4885OPRK1 33/4885
US-20140179684-A1 SUBSTITUTED NORIBOGAINE UGT2B7, GNG2, UGT1A3 SLC6A4 466/4885OPRM1 25/4885OPRK1 33/4885

“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