SCHEMBL2883792

SCHEMBL2883792

COc1ccc(CNCCCO)c(OC)c1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.71
HTR2A P28223 1/20 0.59
HTR2C P28335 1/20 0.59
KDM4E B2RXH2 1/20 0.56
POLB P06746 1/20 0.56
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
DPP7 Q9UHL4 1/20 0.50
GRIN1 Q05586 3/20 0.49
GRIN2A Q12879 3/20 0.49
CHRM2 P08172 3/20 0.49
BCHE P06276 2/20 0.49
ACHE P22303 2/20 0.49

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
SCHEMBL20558263 0.95 APLNR (0.69) APLNRHTR2AHTR2CKDM4EPOLB
SCHEMBL2551631 0.94 APLNR (0.67) APLNRHTR2AHTR2CGRIN1GRIN2A
SCHEMBL14971128 0.91 APLNR (0.75) APLNRHTR2AHTR2CMEN1KMT2A
SCHEMBL29580030 0.91 APLNR (0.75) APLNRHTR2AHTR2CMEN1KMT2A
SCHEMBL7768853 0.87 APLNR (0.86) APLNRHTR2AHTR2CKDM4EMEN1
SCHEMBL7002432 0.86 APLNR (0.73) APLNRHTR2AHTR2CGRIN1GRIN2A
SCHEMBL13739103 0.85 APLNR (0.67) APLNRHTR2AHTR2CGRIN1GRIN2A
SCHEMBL17138360 0.85 APLNR (0.71) APLNRHTR2AHTR2CGRIN1GRIN2A
SCHEMBL28318209 0.84 APLNR (0.80) APLNRHTR2AHTR2CPOLBMEN1
SCHEMBL25386029 0.84 APLNR (0.69) APLNRHTR2AHTR2CGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7737153-B2 Heteroaryloxy-substituted phenylaminopyrimidines as rho-kinase inhibitors BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-06-15 US disclosed
US-20060241127-A1 Heteroaryloxy-substituted phenylaminopyrimidines as rho-kinase inhibitors BAYER HEALTHCARE AG (DE) 2006-10-26 US disclosed
EP-1562935-B1 HETEROARYLOXY-SUBSTITUTED PHENYLAMINOPYRIMIDINES AS RHO-KINASE INHIBITORS BAYER HEALTHCARE AG (DE) 2006-09-06 EP disclosed
EP-1562935-A1 HETEROARYLOXY-SUBSTITUTED PHENYLAMINOPYRIMIDINES AS RHO-KINASE INHIBITORS Bayer HealthCare AG (DE) 2005-08-17 EP disclosed
WO-2004039796-A1 HETEROARYLOXY-SUBSTITUTED PHENYLAMINOPYRIMIDINES AS RHO-KINASE INHIBITORS BAYER HEALTHCARE AG (DE) 2004-05-13 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 (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-20060241127-A1 Heteroaryloxy-substituted phenylaminopyrimidines as rho-kinase inhibitors ROCK1, ROCK2, RHOA APLNR 4225/4885HTR2A 2829/4885HTR2C 3133/4885

“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.