SCHEMBL9766476

SCHEMBL9766476

CC(=O)NCCNC1CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
MAPK1 P28482 1/20 0.46
HIF1A Q16665 1/20 0.46
TSHR P16473 1/20 0.43
ALDH1A1 P00352 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PAOX Q6QHF9 3/20 0.39
FAP Q12884 2/20 0.39
DPP4 P27487 2/20 0.39
PREP P48147 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
ADRA1A P35348 1/20 0.38
CHRM2 P08172 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM3 P20309 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
CXCR4 P61073 1/20 0.36
CHRM1 P11229 1/20 0.35
DRD2 P14416 1/20 0.35

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
SCHEMBL13135502 0.92 EPHX2 (0.42) KDM4EMAPK1HIF1ATSHRALDH1A1
SCHEMBL22170013 0.90 CXCR4 (0.47) KDM4EMAPK1HIF1AALDH1A1FAP
SCHEMBL22174969 0.90 CXCR4 (0.47) KDM4EMAPK1HIF1AALDH1A1FAP
SCHEMBL22173356 0.90 CXCR4 (0.47) KDM4EMAPK1HIF1AALDH1A1FAP
SCHEMBL3531779 0.90 CXCR4 (0.47) KDM4EMAPK1HIF1AALDH1A1FAP
SCHEMBL13207153 0.85 EPHX2 (0.49) KDM4EALDH1A1SMN1; SMN2CHRM2CHRM5
SCHEMBL18850989 0.82 KDM4E (0.42) KDM4EMAPK1HIF1AALDH1A1NPSR1
SCHEMBL13135453 0.79 CHRM1 (0.39) KDM4EMAPK1HIF1ATSHRALDH1A1
SCHEMBL15987516 0.79 ALDH1A1 (0.42) KDM4EALDH1A1DPP4SMN1; SMN2CHRM2
SCHEMBL24608350 0.78 CXCR4 (0.61) KDM4EMAPK1HIF1ASMN1; SMN2CXCR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8242280-B2 morpholin-4-yl-{3-[3-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl-phenyl}-methanone; FMS-like tyrosine kinase 3 (FLT3), is implicated in cancers, including leukemia, such as acute myeloid leukemia (AML), acute lymphoblastic leukemia (ALL), and myelodysplasia SGX PHARMACEUTICALS, INC. (US) 2012-08-14 US disclosed
US-8242280-B2 morpholin-4-yl-{3-[3-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl-phenyl}-methanone; FMS-like tyrosine kinase 3 (FLT3), is implicated in cancers, including leukemia, such as acute myeloid leukemia (AML), acute lymphoblastic leukemia (ALL), and myelodysplasia SGX PHARMACEUTICALS, INC. (US) 2012-08-14 US disclosed
US-7795267-B2 Bicyclic piperazine compound having TGR23 antagonistic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-14 US disclosed
US-7795267-B2 Bicyclic piperazine compound having TGR23 antagonistic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-14 US disclosed
US-20080261921-A1 FUSED RING HETEROCYCLE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2008-10-23 US disclosed
US-20080261921-A1 FUSED RING HETEROCYCLE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2008-10-23 US disclosed
US-20070072865-A1 Bicyclic piperazine compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-03-29 US disclosed
US-20070072865-A1 Bicyclic piperazine compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-03-29 US disclosed
US-5010108-A Treatment of gastrointestinal disorders POLI INDUSTRIA CHIMICA S.P.A. (IT) 1991-04-23 US disclosed
EP-0333073-A2 N-cycloalkylaminoethylbenzamide derivatives, their synthesis and pharmaceutical preparations POLI INDUSTRIA CHIMICA S.p.A. (IT) 1989-09-20 EP 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-20080261921-A1 FUSED RING HETEROCYCLE KINASE MODULATORS MAP3K20, MAP3K19, MAP4K2 KDM4E 1048/4885MAPK1 280/4885HIF1A 2328/4885
US-20070072865-A1 Bicyclic piperazine compound and use thereof GPR3, FFAR3, LPAR3 KDM4E 2385/4885MAPK1 3526/4885HIF1A 1026/4885

“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.