SCHEMBL26728906

SCHEMBL26728906

CC[C@H]1C[C@H]2C[C@H]3c4c(c5ccccc5n4C)CCN(C2)C13

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 12/20 1.00
▸ OPRM1 P35372 1/20 0.49
▸ OPRK1 P41145 1/20 0.49
▸ SIGMAR1 Q99720 2/20 0.48
▸ CHRNB2 P17787 1/20 0.48
▸ CHRNB4 P30926 1/20 0.48
▸ CHRNA3 P32297 1/20 0.48
▸ CHRNA4 P43681 1/20 0.48
▸ KCNH2 Q12809 1/20 0.48
▸ TMEM97 Q5BJF2 1/20 0.48
▸ ACHE P22303 1/20 0.39
▸ PDE1A P54750 1/20 0.38
▸ PDE1B Q01064 1/20 0.38
▸ PDE1C Q14123 1/20 0.38
▸ CYP3A4 P08684 2/20 0.37
▸ NR1I2 O75469 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 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
SCHEMBL26728652 1.00 SLC6A4 (1.00) SLC6A4OPRM1OPRK1SIGMAR1CHRNB2
SCHEMBL15850751 0.86 SLC6A4 (0.80) SLC6A4OPRM1OPRK1SIGMAR1CHRNB2
SCHEMBL15444962 0.86 SLC6A4 (0.80) SLC6A4OPRM1OPRK1SIGMAR1CHRNB2
SCHEMBL14961979 0.86 SLC6A4 (0.80) SLC6A4OPRM1OPRK1SIGMAR1CHRNB2
SCHEMBL15444963 0.85 SLC6A4 (0.98) SLC6A4OPRM1OPRK1SIGMAR1CHRNB2
SCHEMBL26728728 0.85 SLC6A4 (1.00) SLC6A4OPRM1OPRK1SIGMAR1CHRNB2
SCHEMBL15833860 0.85 SLC6A4 (0.98) SLC6A4OPRM1OPRK1SIGMAR1CHRNB2
SCHEMBL15850748 0.85 SLC6A4 (0.98) SLC6A4OPRM1OPRK1SIGMAR1CHRNB2
SCHEMBL15833859 0.83 SLC6A4 (1.00) SLC6A4OPRM1OPRK1SIGMAR1CHRNB2
SCHEMBL26728731 0.83 SLC6A4 (0.84) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348465-A1 IBOGAINE ANALOGS AS THERAPEUTICS FOR NEUROLOGICAL AND PSYCHIATRIC DISORDERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-11-02 — — 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-20230348465-A1 IBOGAINE ANALOGS AS THERAPEUTICS FOR NEUROLOGICAL AND PSYCHIATRIC DISORDERS CHRNA3, CHRNB3, CHRNA4 SLC6A4 76/4885OPRM1 33/4885OPRK1 67/4885

“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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