SCHEMBL1426554

SCHEMBL1426554

COc1ccc(N2CCC3(CCNC3)C2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 10/20 0.56
ALDH1A1 P00352 9/20 0.56
CYP3A4 P08684 8/20 0.56
CYP2D6 P10635 7/20 0.56
CYP1A2 P05177 6/20 0.56
CYP2C19 P33261 7/20 0.54
MAPK1 P28482 6/20 0.54
SMN1; SMN2 Q16637 5/20 0.54
HSD17B10 Q99714 5/20 0.54
TP53 P04637 4/20 0.54
HPGD P15428 3/20 0.54
HTR3E A5X5Y0 1/20 0.54
HTR3B O95264 1/20 0.54
ADRB1 P08588 1/20 0.54
HTR3A P46098 1/20 0.54
HTR3D Q70Z44 1/20 0.54
HTR3C Q8WXA8 1/20 0.54
SIGMAR1 Q99720 1/20 0.54
KHK P50053 1/20 0.46
TSHR P16473 4/20 0.46

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
SCHEMBL485421 0.91 ADRB1 (0.61) USP2ALDH1A1CYP3A4CYP2D6CYP1A2
SCHEMBL23412145 0.91 ADRB1 (0.61) USP2ALDH1A1CYP3A4CYP2D6CYP1A2
Hydrochloric Acid SCHEMBL23411807 0.90 ADRB1 (0.59) USP2ALDH1A1CYP3A4CYP2D6CYP1A2
Hydrochloric Acid SCHEMBL23411806 0.89 HTR3E (0.58) USP2ALDH1A1CYP3A4CYP2D6CYP1A2
SCHEMBL1556724 0.84 CHRNB2 (0.61) USP2ALDH1A1CYP3A4CYP2D6CYP1A2
SCHEMBL20842185 0.84 CYP2D6 (0.60) USP2ALDH1A1CYP3A4CYP2D6CYP1A2
SCHEMBL1426558 0.82 CYP2D6 (0.61) USP2ALDH1A1CYP3A4CYP2D6CYP1A2
SCHEMBL20455740 0.81 CYP2D6 (0.60) USP2ALDH1A1CYP3A4CYP2D6CYP1A2
SCHEMBL1426810 0.80 CYP2D6 (0.82) USP2ALDH1A1CYP3A4CYP2D6CYP1A2
SCHEMBL5389142 0.80 CHRNB2 (0.57) USP2ALDH1A1CYP3A4CYP2D6CYP1A2

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-20250188057-A1 NON-AROMATIC CYCLIC-PYRIMIDINE ANALOGS AS GLUCOSYLCERAMIDE SYNTHASE INHIBITORS MERCK SHARP & DOHME LLC (US) 2025-06-12 US disclosed
EP-4490148-A2 NON-AROMATIC CYCLIC-PYRIMIDINE ANALOGS AS GLUCOSYLCERAMIDE SYNTHASE INHIBITORS Merck Sharp & Dohme LLC (US) 2025-01-15 EP disclosed
WO-2023172475-A2 NON-AROMATIC CYCLIC-PYRIMIDINE ANALOGS AS GLUCOSYLCERAMIDE SYNTHASE INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-09-14 WO disclosed
US-20200048267-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2020-02-13 US disclosed
WO-2018141984-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2018-08-09 WO disclosed
WO-2013066729-A1 AMINOPYRIMIDINONES AS INTERLEUKIN RECEPTOR-ASSOCIATED KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-05-10 WO disclosed
EP-2301936-A1 SPIRODIAMINE-DIARYLKETOXIME DERIVATIVE Banyu Pharmaceutical Co., Ltd. (JP) 2011-03-30 EP disclosed
US-20110071129-A1 SPIRODIAMINE-DIARYL KETOXIME DERIVATIVE MSD K.K. (JP) 2011-03-24 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 (3 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-20110071129-A1 SPIRODIAMINE-DIARYL KETOXIME DERIVATIVE MCHR2, MCHR1, ADRB2 USP2 3091/4885ALDH1A1 409/4885CYP3A4 251/4885
US-20200048267-A1 OGA INHIBITOR COMPOUNDS OGA, OGT, GRN USP2 705/4885ALDH1A1 3839/4885CYP3A4 4278/4885
US-20250188057-A1 NON-AROMATIC CYCLIC-PYRIMIDINE ANALOGS AS GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GBA1, GBA2, ASAH2 USP2 2982/4885ALDH1A1 1841/4885CYP3A4 3496/4885

“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.