SCHEMBL4201455

SCHEMBL4201455

NC(N)CN1CCOCC1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.58
ANPEP P15144 1/20 0.55
ALDH1A1 P00352 5/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
KEAP1 Q14145 1/20 0.44
KDM4E B2RXH2 5/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 3/20 0.38
ATM Q13315 2/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
HIF1A Q16665 1/20 0.36

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
Hydrochloric Acid SCHEMBL31053687 0.97 USP2 (0.56) USP2ANPEPALDH1A1SMN1; SMN2KEAP1
SCHEMBL372508 0.84 USP2 (0.58) USP2ANPEPALDH1A1SMN1; SMN2KEAP1
SCHEMBL2715954 0.80 USP2 (0.54) USP2ANPEPALDH1A1SMN1; SMN2KEAP1
SCHEMBL358783 0.80 USP2 (0.54) USP2ANPEPALDH1A1SMN1; SMN2KEAP1
SCHEMBL39809 0.80 USP2 (0.54) USP2ANPEPALDH1A1SMN1; SMN2KEAP1
SCHEMBL6505664 0.80 USP2 (0.67) USP2ANPEPALDH1A1SMN1; SMN2KEAP1
Hydrochloric Acid SCHEMBL2383770 0.78 ALDH1A1 (0.55) USP2ANPEPALDH1A1SMN1; SMN2KEAP1
Hydrochloric Acid SCHEMBL2187508 0.78 ALDH1A1 (0.55) USP2ANPEPALDH1A1SMN1; SMN2KEAP1
Hydrochloric Acid SCHEMBL2187515 0.78 ALDH1A1 (0.55) USP2ANPEPALDH1A1SMN1; SMN2KEAP1
SCHEMBL8554312 0.77 USP2 (0.50) USP2ANPEPALDH1A1SMN1; SMN2KEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170158927-A1 One-Component Moisture-Curable Urethane Composition and Method for Producing Same THE YOKOHAMA RUBBER CO., LTD. (JP) 2017-06-08 US claimed
US-10385245-B2 One-component moisture-curable urethane composition and method for producing same THE YOKOHAMA RUBBER CO., LTD. (JP) 2019-08-20 US disclosed
US-20170158927-A1 One-Component Moisture-Curable Urethane Composition and Method for Producing Same THE YOKOHAMA RUBBER CO., LTD. (JP) 2017-06-08 US disclosed
EP-1263720-B1 AZETIDINE DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AVENTIS PHARMA SA (FR) 2009-06-03 EP disclosed
US-7414131-B2 Bicycloheteroarylamine compounds as ion channel ligands and uses thereof RENOVIS, INC. (US) 2008-08-19 US disclosed
US-7414131-B2 Bicycloheteroarylamine compounds as ion channel ligands and uses thereof RENOVIS, INC. (US) 2008-08-19 US disclosed
US-7414131-B2 Bicycloheteroarylamine compounds as ion channel ligands and uses thereof RENOVIS, INC. (US) 2008-08-19 US disclosed
US-7312330-B2 Bicycloheteroarylamine compounds as ion channel ligands and uses thereof RENOVIS, INC. (US) 2007-12-25 US disclosed
WO-2006118598-A1 BICYCLOHETEROARYLAMINE COMPOUNDS AS ION CHANNEL LIGANDS AND USES THEREOF RENOVIS, INC. (US) 2006-11-09 WO disclosed
US-20050277643-A1 Bicycloheteroarylamine compounds as ion channel ligands and uses thereof EVOTEC AG (DE) 2005-12-15 US disclosed
US-20050215572-A1 N-(4-tert-Butyl-phenyl)-[7-(3-chloro-pyridin-2-yl)-2-methoxymethyl-5,6,7,8-tetrahydro-pyrido[3,4-d]pyrimidin-4-yl]-amine; antiinflammatory agents treating pain, inflammation, traumatic injury, arthritis, Parkinson's disease, Alzheimer's disease, stroke, asthma, myocardial infarction EVOTEC AG (DE) 2005-09-29 US disclosed
EP-1263720-A1 AZETIDINE DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Aventis Pharma S.A. (FR) 2002-12-11 EP disclosed
WO-2001064632-A1 AZETIDINE DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AVENTIS PHARMA S.A. (FR) 2001-09-07 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 (2 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-20050215572-A1 N-(4-tert-Butyl-phenyl)-[7-(3-chloro-pyridin-2-yl)-2-methoxymethyl-5,6,7,8-tetrahydro-pyrido[3,4-d]pyrimidin-4-yl]-amine; antiinflammatory agents treating pain, inflammation, traumatic injury, arthritis, Parkinson's disease, Alzheimer's disease, stroke, asthma, myocardial infarction PARK7, PTGIS, PTGES USP2 4310/4885ANPEP 884/4885ALDH1A1 1582/4885
US-20050277643-A1 Bicycloheteroarylamine compounds as ion channel ligands and uses thereof TRPV1, TRPV3, TRPA1 USP2 4870/4885ANPEP 2584/4885ALDH1A1 3095/4885

“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.