SCHEMBL1749645

SCHEMBL1749645

Nc1ccc(N2CCC(CNC(=O)O)C2)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 1/20 0.41
CKS1B P61024 8/20 0.41
SKP1 P63208 8/20 0.41
SKP2 Q13309 8/20 0.41
F10 P00742 1/20 0.41
KLKB1 P03952 1/20 0.40
KLK1 P06870 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
RPS6KB1 P23443 1/20 0.39
P2RX7 Q99572 1/20 0.39
RET P07949 2/20 0.39

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
SCHEMBL1750254 1.00 ALDH1A1 (0.41) ALDH1A1KDM4ERAB9ASMN1; SMN2MAPK1
SCHEMBL14796957 0.81 CKS1B (0.48) MAPK1CKS1BSKP1SKP2CA12
SCHEMBL1750527 0.81 CKS1B (0.40) ALDH1A1KDM4EMAPK1CKS1BSKP1
SCHEMBL1749694 0.81 MAPT (0.52) ALDH1A1KDM4ESMN1; SMN2MAPK1MAPT
SCHEMBL1749697 0.81 MAPT (0.52) ALDH1A1KDM4ESMN1; SMN2MAPK1MAPT
SCHEMBL15652803 0.80 MAP4K4 (0.48) KLKB1KLK1
SCHEMBL15652802 0.80 MAP4K4 (0.48) KLKB1KLK1
SCHEMBL1749349 0.80 CA12 (0.53) CA12CA1CA2CA4CA7
SCHEMBL1750884 0.79 OPRK1 (0.40) ALDH1A1KDM4EMAPK1CKS1BSKP1
SCHEMBL1749834 0.79 P2RX7 (0.46) ALDH1A1KDM4EMAPK1CKS1BSKP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968550-B2 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2011-06-28 US disclosed
EP-2155687-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS Via Pharmaceuticals, Inc. (US) 2010-02-24 EP disclosed
WO-2008141976-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS VIA PHARMACEUTICALS, INC. (US) 2008-11-27 WO disclosed
US-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-09-06 US disclosed
US-7223788-B2 therapy for eating disorders, anorexigenic agents, antidiabetic agents, reducing weight in mammals, circadian rhythm disease, psychological disorders SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-05-29 US disclosed
US-20040220191-A1 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-11-04 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 (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-20040220191-A1 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments CYP11B2, CYP11B1, CYP1A1 ALDH1A1 286/4885KDM4E 2966/4885RAB9A 4319/4885
US-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments CYP11B2, CYP11B1, NQO1 ALDH1A1 374/4885KDM4E 2896/4885RAB9A 4386/4885

“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.