SCHEMBL1704402

SCHEMBL1704402

CC(C)(C)c1ccn(Cc2ccccc2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRN P28799 1/20 0.48
SORT1 Q99523 1/20 0.48
CACNA1G O43497 6/20 0.45
CACNA1I Q9P0X4 6/20 0.45
CACNA1H O95180 5/20 0.45
CYP19A1 P11511 2/20 0.44
NPC1 O15118 4/20 0.42
ALDH1A1 P00352 4/20 0.42
RAB9A P51151 4/20 0.42
HPGD P15428 3/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 2/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.40
RAF1 P04049 1/20 0.40

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
SCHEMBL25307087 0.86 CACNA1G (0.46) GRNSORT1CACNA1GCACNA1ICACNA1H
SCHEMBL30688519 0.83 ALDH1A1 (0.46) CACNA1GCACNA1ICACNA1HCYP19A1NPC1
SCHEMBL30364091 0.82 ALDH1A1 (0.64) CACNA1GCACNA1ICACNA1HNPC1ALDH1A1
SCHEMBL17397357 0.82 CYP19A1 (0.44) CACNA1GCACNA1ICACNA1HCYP19A1NPC1
SCHEMBL13692056 0.79 TDP1 (0.47) NPC1ALDH1A1RAB9AKDM4ELMNA
SCHEMBL21652250 0.78 CYP19A1 (0.45) CACNA1GCACNA1ICACNA1HCYP19A1NPC1
SCHEMBL2185532 0.77 SLC6A2 (0.37) GRNSORT1NPC1RAB9ASMN1; SMN2
SCHEMBL10247346 0.76 GFER (0.60) CACNA1GCACNA1ICACNA1HCYP19A1NPC1
SCHEMBL10222903 0.75 ALDH1A1 (0.36) NPC1ALDH1A1RAB9ALMNASMN1; SMN2
SCHEMBL25309441 0.75 L3MBTL1 (0.42) CACNA1GCACNA1ICACNA1HNPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230242531-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-08-03 US disclosed
US-11130731-B2 Sulfonylureas and related compounds and use of same THE PROVOST, FELLOWS, FOUNDATION SCHOLARS, AND THE OTHER MEMBERS OF BOARD, OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH NEAR DUBLIN (IE) 2021-09-28 US disclosed
US-8969383-B2 Picolinamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-03-03 US disclosed
US-20140296237-A1 PICOLINAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC (JP) 2014-10-02 US disclosed
US-8809380-B2 Picolinamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2014-08-19 US disclosed
US-20130165452-A1 Substituted Heteroaryls PFIZER INC. (US) 2013-06-27 US disclosed
US-8389552-B2 (S)-6-(2-(4-(cyclobutylsulfonyl)-1H-imidazol-1-yl)-3-cyclopentylpropanamido)nicotinic acid useful as a glucokinase activator PFIZER INC. (US) 2013-03-05 US disclosed
US-8329920-B2 Substituted imidazoles useful for treating type II diabetes PFIZER INC. (US) 2012-12-11 US disclosed
US-20120225910-A1 Substituted Heteroaryls PFIZER INC. (US) 2012-09-06 US disclosed
US-20120142691-A1 PICOLINAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. 2012-06-07 US disclosed
US-7910747-B2 Phosphonate and phosphinate pyrazolylamide glucokinase activators BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-22 US disclosed
US-7442703-B2 Piperidine derivatives useful as CCR5 antagonists SCHERING CORPORATION (US) 2008-10-28 US disclosed
US-20080214575-A1 PIPERIDINE DERIVATIVES USEFUL AS CCR5 ANTAGONISTS SCHERING CORPORATION 2008-09-04 US disclosed
US-7384948-B2 Piperidine derivatives useful as CCR5 antagonists SCHERING CORPORATION (US) 2008-06-10 US disclosed
US-20080009465-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME BRISTOL-MYERS SQUIBB COMPANY 2008-01-10 US disclosed
US-20060148858-A1 1, 2-Azole derivatives with hypoglycemic and hypolipidemic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-07-06 US disclosed
EP-1513817-A1 1, 2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY Takeda Pharmaceutical Company Limited (JP) 2005-03-16 EP disclosed
WO-2003099793-A9 1,2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA PHARMACEUTICAL (JP) 2005-02-10 WO disclosed
WO-2003099793-A1 1,2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-12-04 WO disclosed
US-6562840-B1 Non-peptidic inhibitors of proteolytic enzymes such as urokinase 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-05-13 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 (9 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-20120142691-A1 PICOLINAMIDE DERIVATIVES AS TTX-S BLOCKERS CACNA1G, SCN3A, SCN5A GRN 1323/4885SORT1 1688/4885CACNA1G 1/4885
US-20230242531-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP GRN 2285/4885SORT1 3661/4885CACNA1G 3725/4885
US-11130731-B2 Sulfonylureas and related compounds and use of same NLRP3, PYCARD, IAPP GRN 2227/4885SORT1 1855/4885CACNA1G 925/4885
US-20140296237-A1 PICOLINAMIDE DERIVATIVES AS TTX-S BLOCKERS CACNA1G, SCN3A, SCN5A GRN 1323/4885SORT1 1688/4885CACNA1G 1/4885
US-20060148858-A1 1, 2-Azole derivatives with hypoglycemic and hypolipidemic activity GPR119, SLC5A1, CYP4B1 GRN 4564/4885SORT1 3554/4885CACNA1G 1980/4885
US-20080009465-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, GCK, PCK1 GRN 3324/4885SORT1 4325/4885CACNA1G 3382/4885
US-20080214575-A1 PIPERIDINE DERIVATIVES USEFUL AS CCR5 ANTAGONISTS CCR5, CCR10, CXCR3 GRN 3776/4885SORT1 3262/4885CACNA1G 1302/4885
US-20120225910-A1 Substituted Heteroaryls GCKR, GCK, GALK1 GRN 2445/4885SORT1 4637/4885CACNA1G 3324/4885
US-20130165452-A1 Substituted Heteroaryls GCKR, GCK, GALK1 GRN 2419/4885SORT1 4588/4885CACNA1G 3375/4885

“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.