SCHEMBL2224435

SCHEMBL2224435

COc1ccc(N2CCNCC2)nc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 3/20 0.57
HTR3A P46098 3/20 0.57
HTR3E A5X5Y0 2/20 0.57
HTR3B O95264 2/20 0.57
HTR3D Q70Z44 2/20 0.57
HTR3C Q8WXA8 2/20 0.57
SIGMAR1 Q99720 1/20 0.57
HTR1A P08908 4/20 0.50
HTR7 P34969 3/20 0.50
HTR1B P28222 2/20 0.50
HTR2B P41595 2/20 0.50
HTR6 P50406 1/20 0.50
NCF1 P14598 1/20 0.49
CHRNB2 P17787 1/20 0.49
CHRNA4 P43681 1/20 0.49
PLD1 Q13393 1/20 0.49
HTR1D P28221 2/20 0.48
DHFR P00374 1/20 0.47
HRH3 Q9Y5N1 1/20 0.46
TGFBR1 P36897 1/20 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
SCHEMBL12911529 0.88 TGFBR1 (0.57) ADRB1HTR3AHTR3EHTR3BHTR3D
Hydrochloric Acid SCHEMBL940806 0.86 TGFBR1 (0.56) ADRB1HTR3AHTR3EHTR3BHTR3D
SCHEMBL14650779 0.84 UBE2T (0.51) DHFRHRH3
SCHEMBL22638127 0.83 CHRNB2 (0.56) ADRB1HTR3AHTR3EHTR3BHTR3D
SCHEMBL27837554 0.83 UBE2T (0.50) DHFRHRH3
SCHEMBL3920532 0.81 DHFR (0.48) DHFRHRH3
SCHEMBL10833518 0.80 HTR1A (0.59) ADRB1HTR3AHTR3EHTR3BHTR3D
SCHEMBL24921472 0.80 KDM4E (0.61) DHFR
SCHEMBL1472886 0.80 SCN9A (0.49) ADRB1PLD1
SCHEMBL25187137 0.80 SCN9A (0.46) ADRB1HTR3AHTR3EHTR3BHTR3D

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 52 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260070884-A1 Inhibitors of Dihydroceramide Desaturase for Treating Disease CENTAURUS THERAPEUTICS (US) 2026-03-12 US disclosed
US-12247019-B2 Inhibitors of dihydroceramide desaturase for treating disease CENTAURUS THERAPEUTICS (US) 2025-03-11 US disclosed
US-20230357187-A1 Inhibitors of Dihydroceramide Desaturase For Treating Disease CENTAURUS THERAPEUTICS 2023-11-09 US disclosed
US-20230357187-A1 Inhibitors of Dihydroceramide Desaturase For Treating Disease CENTAURUS THERAPEUTICS 2023-11-09 US disclosed
CN-111787916-B Dihydroceramide desaturase inhibitors for treating diseases 森陶鲁斯治疗公司 2023-09-05 CN disclosed
EP-3419972-B1 GLYCOSIDASE INHIBITORS ASCENEURON SA (CH) 2023-07-26 EP disclosed
US-11612599-B2 Glycosidase inhibitors ASCENEURON SA (CH) 2023-03-28 US disclosed
US-11597715-B2 Inhibitors of dihydroceramide desaturase for treating disease CENTAURUS THERAPEUTICS (US) 2023-03-07 US disclosed
US-11597715-B2 Inhibitors of dihydroceramide desaturase for treating disease CENTAURUS THERAPEUTICS (US) 2023-03-07 US disclosed
EP-3419971-B1 GLYCOSIDASE INHIBITORS ASCENEURON SA (CH) 2022-04-20 EP disclosed
EP-1853582-B1 HETEROCYCLYLAMIDE-SUBSTITUTED IMIDAZOLES AICURIS GMBH & CO KG (DE) 2009-10-21 EP disclosed
EP-1853582-B1 HETEROCYCLYLAMIDE-SUBSTITUTED IMIDAZOLES AICURIS GMBH & CO KG (DE) 2009-10-21 EP disclosed
US-20080176859-A1 HETEROCYCLYAMIDE-SUBSTITUTED IMIDAZOLES AICURIS GMBH & CO. KG (DE) 2008-07-24 US disclosed
US-20080176859-A1 HETEROCYCLYAMIDE-SUBSTITUTED IMIDAZOLES AICURIS GMBH & CO. KG (DE) 2008-07-24 US disclosed
CN-101128455-A Heterocyclylamide-substituted imidazoles BAYER HEALTHCARE AG (DE) 2008-02-20 CN disclosed
EP-1853582-A2 HETEROCYCLYLAMIDE-SUBSTITUTED IMIDAZOLES AiCuris GmbH & Co. KG (DE) 2007-11-14 EP disclosed
WO-2006089664-A2 HETEROCYCLYLAMIDE-SUBSTITUTED IMIDAZOLES AICURIS GMBH & CO. KG (DE) 2006-08-31 WO disclosed
US-5650411-A BACTERICIDES FOR HELICOBACTER DISEASES AND BACTERIA RESISTANCE JANSSEN PHARMACEUTICA N.V. (BE) 1997-07-22 US disclosed
EP-0684821-A1 SUBSTITUTED AZOLONE DERIVATIVES FOR TREATING DISEASES CAUSED BY HELICOBACTER JANSSEN PHARMACEUTICA N.V. (BE) 1995-12-06 EP disclosed
WO-1994018978-A1 SUBSTITUTED AZOLONE DERIVATIVES FOR TREATING DISEASES CAUSED BY HELICOBACTER JANSSEN PHARMACEUTICA N.V. (BE) 1994-09-01 WO 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 (6 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-11612599-B2 Glycosidase inhibitors ENGASE, GAA, GLA ADRB1 2255/4885HTR3A 3259/4885HTR3E 3291/4885
US-11597715-B2 Inhibitors of dihydroceramide desaturase for treating disease CERS2, SMPD1, ASAH1 ADRB1 2570/4885HTR3A 3631/4885HTR3E 4178/4885
US-20260070884-A1 Inhibitors of Dihydroceramide Desaturase for Treating Disease CERS2, DEGS1, CERT1 ADRB1 746/4885HTR3A 3484/4885HTR3E 3135/4885
US-12247019-B2 Inhibitors of dihydroceramide desaturase for treating disease CERS2, SMPD1, ASAH1 ADRB1 2570/4885HTR3A 3631/4885HTR3E 4178/4885
US-20080176859-A1 HETEROCYCLYAMIDE-SUBSTITUTED IMIDAZOLES TPMT, TYMP, PAICS ADRB1 3626/4885HTR3A 1957/4885HTR3E 1086/4885
US-20230357187-A1 Inhibitors of Dihydroceramide Desaturase For Treating Disease CERS2, SMPD1, ASAH1 ADRB1 2570/4885HTR3A 3631/4885HTR3E 4178/4885

“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.