SCHEMBL497229

SCHEMBL497229

N#Cc1cccnc1CCl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
LRRK2 Q5S007 1/20 0.41
CYP3A4 P08684 1/20 0.41
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
ALDH1A1 P00352 8/20 0.38
KDM4E B2RXH2 3/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
ELANE P08246 2/20 0.37
CYP11B2 P19099 1/20 0.37
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 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
SCHEMBL30496171 1.00 HPGD (0.41) HPGDCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL10527716 0.80 HPGD (0.41) HPGDCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL14510730 0.80 HPGD (0.41) HPGDCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL30496159 0.80 ALDH1A1 (0.53) HPGDCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL1161590 0.80 HPGD (0.41) HPGDCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL25198363 0.80 ALDH1A1 (0.53) HPGDCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL15436874 0.80 HPGD (0.41) HPGDCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL3791629 0.80 HPGD (0.51) HPGDCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL7213726 0.77 HPGD (0.49) HPGDCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL3660182 0.77 NPC1 (0.41) HPGDCYP1A2CYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250145598-A1 ACID CERAMIDASE INHIBITORS AND USES THEREOF UNIV CALIFORNIA (US) 2025-05-08 US disclosed
CN-117720518-B Benzimidazole compound, preparation method thereof, pharmaceutical composition and application 江苏海洋大学 2024-08-13 CN disclosed
EP-4387617-A1 ACID CERAMIDASE INHIBITORS AND USES THEREOF The Regents of the University of California (US) 2024-06-26 EP disclosed
CN-117720518-A Benzimidazole compound, preparation method thereof, pharmaceutical composition and application 江苏海洋大学 2024-03-19 CN disclosed
CN-111417394-B Benzimidazole derivatives and uses thereof 帝人制药株式会社 2023-11-07 CN disclosed
CN-115536579-B Tyrosine kinase inhibitor and preparation method and application thereof 江苏海洋大学 2023-06-20 CN disclosed
WO-2023023156-A1 ACID CERAMIDASE INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-02-23 WO disclosed
WO-2023023156-A1 ACID CERAMIDASE INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-02-23 WO disclosed
CN-115536579-A Tyrosine kinase inhibitor and preparation method and application thereof 江苏海洋大学 2022-12-30 CN disclosed
CN-107266449-B Process for the preparation of chiral 8- (3-amino-piperidin-1-yl) -xanthines 勃林格殷格翰国际有限公司 2022-06-07 CN disclosed
EP-1758905-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINE, THE PRODUCTION THEREOF AND THE USE IN THE FORM OF A DDP-IV INHIBITOR Boehringer Ingelheim International GmbH (DE) 2007-03-07 EP disclosed
WO-2007014886-A1 HYDROCHLORIDES AND HYDRATES OF 1-[(3-CYANOPYRIDIN-2-YL)METHYL]-3-METHYL-7-(2-BUTYN-1-YL)-8-(3-AMINOPIPERIDIN-1-YL)XANTHINE, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-08 WO disclosed
WO-2007014886-A1 HYDROCHLORIDES AND HYDRATES OF 1-[(3-CYANOPYRIDIN-2-YL)METHYL]-3-METHYL-7-(2-BUTYN-1-YL)-8-(3-AMINOPIPERIDIN-1-YL)XANTHINE, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-08 WO disclosed
US-20070027168-A1 8-(3-AMINO-PIPERIDIN-1-YL)-XANTHINES, THEIR PREPARATION, AND THEIR USE AS PHARMACEUTICALS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-01 US disclosed
US-20070027168-A1 8-(3-AMINO-PIPERIDIN-1-YL)-XANTHINES, THEIR PREPARATION, AND THEIR USE AS PHARMACEUTICALS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-01 US disclosed
US-20070027168-A1 8-(3-AMINO-PIPERIDIN-1-YL)-XANTHINES, THEIR PREPARATION, AND THEIR USE AS PHARMACEUTICALS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-01 US disclosed
US-20060142310-A1 for preventing or treating disorders connected with an increased DPP-IV activity, especially of diabetes mellitus type I or type II, prediabetes, or reduction of glucose tolerance; 1-[(4-methylquinazolin-2-yl)methyl]-3-methyl-7-(2-butin-1-yl)-8-(3-(R)-aminopiperidin-1-yl)-xanthine BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-06-29 US disclosed
WO-2006048427-A1 METHOD FOR PRODUCING CHIRAL 8-(3-AMINO-PIPERIDIN-1-YL)-XANTHINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-05-11 WO disclosed
WO-2006048427-A1 METHOD FOR PRODUCING CHIRAL 8-(3-AMINO-PIPERIDIN-1-YL)-XANTHINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-05-11 WO disclosed
WO-2005085246-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINE, THE PRODUCTION THEREOF AND THE USE IN THE FORM OF A DPP INHIBITOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-09-15 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 (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-20250145598-A1 ACID CERAMIDASE INHIBITORS AND USES THEREOF ASAH2, ASAH1, ACER2 HPGD 1129/4885CYP1A2 2685/4885CYP2D6 3316/4885
US-20070027168-A1 8-(3-AMINO-PIPERIDIN-1-YL)-XANTHINES, THEIR PREPARATION, AND THEIR USE AS PHARMACEUTICALS PDE8B, PDE8A, XDH HPGD 1203/4885CYP1A2 75/4885CYP2D6 101/4885
US-20060142310-A1 for preventing or treating disorders connected with an increased DPP-IV activity, especially of diabetes mellitus type I or type II, prediabetes, or reduction of glucose tolerance; 1-[(4-methylquinazolin-2-yl)methyl]-3-methyl-7-(2-butin-1-yl)-8-(3-(R)-aminopiperidin-1-yl)-xanthine DPP4, DPP7, DPP8 HPGD 1325/4885CYP1A2 262/4885CYP2D6 314/4885

“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.