SCHEMBL2037646

SCHEMBL2037646

CN(CCC#N)c1cc[c]cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
NPC1 O15118 3/20 0.43
KMT2A Q03164 3/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 2/20 0.43
KDM4E B2RXH2 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
GRK6 P43250 1/20 0.39
HPGD P15428 1/20 0.38
LMNA P02545 3/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
USP2 O75604 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
SCHEMBL149631 0.83 ALDH1A1 (0.49) ALDH1A1NPC1KMT2ARAB9ASMN1; SMN2
SCHEMBL5551246 0.82 ALDH1A1 (0.45) ALDH1A1NPC1KMT2ARAB9ASMN1; SMN2
SCHEMBL6553719 0.81 MAOB (0.34)
SCHEMBL11050725 0.80 ALDH1A1 (0.49) ALDH1A1NPC1KMT2ARAB9ASMN1; SMN2
SCHEMBL5725593 0.80 KDM4E (0.49) ALDH1A1NPC1KMT2ARAB9ASMN1; SMN2
SCHEMBL10046157 0.79 MAPT (0.52) ALDH1A1NPC1KMT2ARAB9ASMN1; SMN2
SCHEMBL14154471 0.79 CYP2A6 (0.44) ALDH1A1NPC1KMT2ARAB9ASMN1; SMN2
SCHEMBL6554137 0.78 TSHR (0.40) ALDH1A1NPC1KMT2ARAB9ASMN1; SMN2
SCHEMBL523503 0.78 HRH3 (0.36) KMT2AMAPTMEN1CYP2D6CYP2C19
SCHEMBL2444957 0.78 MAPT (0.38) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102648912-A New use of 4-amino piperidines compound INST PHARM & TOXICOLOGY AMMS 2012-08-29 CN claimed
CN-101838269-A 1,3,8-triaza-spiro[4.5]decane-4-ketone compounds and pharmaceutical application thereof INST PHARM & TOXICOLOGY AMMS 2010-09-22 CN claimed
CN-1884262-A 4-amino piperidine compounds and their pharmaceutical use POISON MED INST PLA MED ACAD (CN) 2006-12-27 CN claimed
WO-2000023444-A1 5,7-DISUBSTITUTED-4-AMINOPYRIDO[2,3-D]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2000-04-27 WO claimed
EP-0989986-A1 5,7-DISUBSTITUTED 4-AMINOPYRIDO 2,3-D]PYRIMIDINE COMPOUNDS AND THEIR USE AS ADENOSINE KINASE INHIBITORS Abbott Laboratories (US) 2000-04-05 EP claimed
US-6030969-A ADENOSINE KINASE INHIBITORS; ANTIISCHEMIA,-INFLAMMATORY, -DIABETIC AGENTS; NEUROLOGICAL AND GASTROINTESTINAL DISORDERS; NOCIPERCEPTION, IMMUNOSUPPRESSION; SEPSIS ABBOTT LABORATORIES (US) 2000-02-29 US claimed
EP-0979230-A1 6,7-DISUBSTITUTED-4-AMINOPYRIDO[2,3-D]PYRIMIDINE COMPOUNDS Abbott Laboratories (US) 2000-02-16 EP claimed
EP-0975633-A1 5,6,7-TRISUBSTITUTED-4-AMINOPYRIDOL 2,3-D]PYRIMIDINE COMPOUNDS Abbott Laboratories (US) 2000-02-02 EP claimed
WO-1998046605-A1 5,7-DISUBSTITUTED 4-AMINOPYRIDO[2,3-D]PYRIMIDINE COMPOUNDS AND THEIR USE AS ADENOSINE KINASE INHIBITORS ABBOTT LABORATORIES (US) 1998-10-22 WO claimed
WO-1998046604-A1 5,6,7-TRISUBSTITUTED-4-AMINOPYRIDOL[2,3-D]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 1998-10-22 WO claimed
WO-1998046603-A1 6,7-DISUBSTITUTED-4-AMINOPYRIDO[2,3-D]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 1998-10-22 WO claimed
EP-3112864-A1 URINE SAMPLE ANALYSIS METHOD AND REAGENT KIT FOR URINE SAMPLE ANALYSIS Sysmex Corporation (JP) 2017-01-04 EP disclosed
US-20160363588-A1 URINE SAMPLE ANALYSIS METHOD AND REAGENT KIT FOR URINE SAMPLE ANALYSIS SYSMEX CORPORATION (JP) 2016-12-15 US disclosed
US-20130023491-A1 BETA-CELL REPLICATION PROMOTING COMPOUNDS AND METHODS OF THEIR USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2013-01-24 US disclosed
US-8309360-B2 Reagent for analyzing urine and method for analyzing urine SYSMEX CORPORATION (JP) 2012-11-13 US disclosed
US-5891733-A COMPRISING A BUFFER AGENT, AN OSMOTIC PRESSURE COMPENSATING AGENT,A FIRST DYE WHICH IS A CONDENSED BENZENE DERIVATIVE, A SECOND FLUORESCENT DYE, AND A CHELATING AGENT TOA MEDICAL ELECTRONICS CO., LTD. (JP) 1999-04-06 US disclosed
WO-1998046604-A1 5,6,7-TRISUBSTITUTED-4-AMINOPYRIDOL[2,3-D]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 1998-10-22 WO disclosed
WO-1998046603-A1 6,7-DISUBSTITUTED-4-AMINOPYRIDO[2,3-D]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 1998-10-22 WO disclosed
EP-0708334-A2 Reagent and method for analyzing solid components in urine TOA MEDICAL ELECTRONICS CO., LTD. (JP) 1996-04-24 EP disclosed
US-4256458-A DIMERIC PYRIDINIUM DYES BASF AKTIENGESELLSCHAFT (DE) 1981-03-17 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 (1 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-20130023491-A1 BETA-CELL REPLICATION PROMOTING COMPOUNDS AND METHODS OF THEIR USE ADK, AHCY, IAPP ALDH1A1 3764/4885NPC1 3466/4885KMT2A 1519/4885

“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.