SCHEMBL8931483

SCHEMBL8931483

CC(=O)Cn1cc(C(C)(C)C)nn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
DPP4 P27487 1/20 0.38
SRC P12931 3/20 0.38
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36
NR1H4 Q96RI1 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GRN P28799 1/20 0.35
SORT1 Q99523 1/20 0.35
SMPD1 P17405 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NEU4 Q8WWR8 1/20 0.33
GPR88 Q9GZN0 1/20 0.33
GLA P06280 1/20 0.33

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
SCHEMBL18367579 0.86 NR1H4 (0.41) HRH4HRH3DPP4SRCNR1H4
SCHEMBL18016466 0.84 SMYD3 (0.42) HRH4HRH3DPP4SRCGABRA2
SCHEMBL18999235 0.81 HRH4 (0.39) HRH4HRH3DPP4SRCNR1H4
SCHEMBL19413458 0.79 MAPK1 (0.45) SRCLMNATSHRHSD17B10GLA
SCHEMBL8976528 0.77 HRH4 (0.36) HRH4HRH3DPP4SRCNR1H4
SCHEMBL14900339 0.76 HRH4 (0.40) HRH4HRH3DPP4NR1H4KDM4E
SCHEMBL11910527 0.76 SRC (0.41) DPP4SRCSMN1; SMN2NPC1RAB9A
SCHEMBL12432229 0.75 HRH4 (0.46) HRH4HRH3DPP4GABRA2GABRB2
SCHEMBL18367617 0.75 SMN1; SMN2 (0.48) KDM4ESMN1; SMN2NPC1RAB9ATSHR
SCHEMBL18367607 0.74 HRH4 (0.43) HRH4HRH3DPP4GABRA2GABRB2

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10316017-B2 COT modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2019-06-11 US disclosed
US-20170362178-A1 PROCESS FOR PREPARING [(3-HYDROXYPYRIDINE-2-CARBONYL)AMINO]ALKANOIC ACIDS, ESTERS AND AMIDES KREOS CAPITAL VII (UK) LIMITED (GB) 2017-12-21 US disclosed
US-20170362201-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2017-12-21 US disclosed
US-9776969-B2 Process for preparing [(3-hydroxypyridine-2-carbonyl)amino]alkanoic acids, esters and amides AKEBIA THERAPEUTICS, INC. (US) 2017-10-03 US disclosed
US-20150361043-A1 PROCESS FOR PREPARING [(3-HYDROXYPYRIDINE-2-CARBONYL)AMINO]ALKANOIC ACIDS, ESTERS AND AMIDES KREOS CAPITAL VII (UK) LIMITED (GB) 2015-12-17 US disclosed
US-9145366-B2 Process for preparing [(3-hydroxypyridine-2-carbonyl)amino]alkanoic acids, esters and amides AKEBIA THERAPEUTICS, INC. (US) 2015-09-29 US disclosed
US-20130023542-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE AERPIO THERAPEUTICS INC. (US) 2013-01-24 US disclosed
US-8329916-B2 Human protein tyrosine phosphatase inhibitors and method of use AERPIO THERAPEUTICS INC. (US) 2012-12-11 US disclosed
US-20120309977-A1 PROCESS FOR PREPARING [(3-HYDROXYPYRIDINE-2-CARBONYL)AMINO]ALKANOIC ACIDS, ESTERS AND AMIDES AKEBIA THERAPEUTICS INC. (US) 2012-12-06 US disclosed
US-8188080-B2 VHR protein tyrosine phosphatase inhibitors, compositions and methods of use SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2012-05-29 US disclosed
US-20120077975-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHOD OF USE EyePoint Pharmaceuticals, Inc. 2012-03-29 US disclosed
US-8106078-B2 Human protein tyrosine phosphatase inhibitors and methods of use WARNER CHILCOTT COMPANY, LLC (US) 2012-01-31 US disclosed
US-20110212951-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE EyePoint Pharmaceuticals, Inc. 2011-09-01 US disclosed
US-7795444-B2 Human protein tyrosine phosphatase inhibitors and methods of use Warner Chilcott Company (US) 2010-09-14 US disclosed
US-20100068211-A1 USE OF ANTIRESORPTIVE COMPOUNDS TO PREVENT IONIZING RADIATION-INDUCED ACTIVATION OF OSTEOCLASTS AND RESULTING BONE LOSS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-03-18 US disclosed
US-20090105254-A1 VHR PROTEIN TYROSINE PHOSPHATASE INHIBITORS, COMPOSITIONS AND METHODS OF USE BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-04-23 US disclosed
US-20080004267-A1 Human protein tyrosine phosphatase inhibitors and methods of use THE PROCTER & GAMBLE COMPANY (US) 2008-01-03 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 (11 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-20170362201-A1 COT MODULATORS AND METHODS OF USE THEREOF BRDT, THRB, HCCS HRH4 2806/4885HRH3 2884/4885DPP4 3764/4885
US-20170362178-A1 PROCESS FOR PREPARING [(3-HYDROXYPYRIDINE-2-CARBONYL)AMINO]ALKANOIC ACIDS, ESTERS AND AMIDES HPD, APEH, P4HA1 HRH4 115/4885HRH3 77/4885DPP4 271/4885
US-10316017-B2 COT modulators and methods of use thereof BRDT, THRB, HCCS HRH4 2806/4885HRH3 2884/4885DPP4 3764/4885
US-20090105254-A1 VHR PROTEIN TYROSINE PHOSPHATASE INHIBITORS, COMPOSITIONS AND METHODS OF USE PTPRR, PTPRS, PTPRCAP HRH4 462/4885HRH3 206/4885DPP4 3175/4885
US-20120077975-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHOD OF USE PTPRCAP, PPP5C, PTPRO HRH4 3874/4885HRH3 3753/4885DPP4 745/4885
US-20110212951-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE PTPRCAP, PTPRC, PPP5C HRH4 3867/4885HRH3 3739/4885DPP4 733/4885
US-20150361043-A1 PROCESS FOR PREPARING [(3-HYDROXYPYRIDINE-2-CARBONYL)AMINO]ALKANOIC ACIDS, ESTERS AND AMIDES HPD, APEH, P4HA1 HRH4 115/4885HRH3 76/4885DPP4 273/4885
US-20130023542-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE PTPRCAP, PTPRC, PPP5C HRH4 3867/4885HRH3 3739/4885DPP4 733/4885
US-20100068211-A1 USE OF ANTIRESORPTIVE COMPOUNDS TO PREVENT IONIZING RADIATION-INDUCED ACTIVATION OF OSTEOCLASTS AND RESULTING BONE LOSS CTSA, SOST, CTSB HRH4 565/4885HRH3 204/4885DPP4 1515/4885
US-20080004267-A1 Human protein tyrosine phosphatase inhibitors and methods of use PTPRCAP, PTPRC, PPP5C HRH4 3867/4885HRH3 3739/4885DPP4 733/4885
US-20120309977-A1 PROCESS FOR PREPARING [(3-HYDROXYPYRIDINE-2-CARBONYL)AMINO]ALKANOIC ACIDS, ESTERS AND AMIDES HPD, APEH, ALDH7A1 HRH4 114/4885HRH3 105/4885DPP4 292/4885

“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.