SCHEMBL3368028

SCHEMBL3368028

OCCNCC1(O)CCN(Cc2ccccc2)C1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 2/20 0.48
POLB P06746 2/20 0.47
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CCR3 P51677 1/20 0.44
CYP3A4 P08684 3/20 0.43
HSD17B10 Q99714 1/20 0.43
CYP2D6 P10635 4/20 0.41
TSHR P16473 3/20 0.41
SIGMAR1 Q99720 1/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HIF1A Q16665 1/20 0.40

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
SCHEMBL19320635 0.92 OPRL1 (0.54) OPRL1POLBKMT2ACCR3CYP3A4
SCHEMBL9179575 0.89 OPRL1 (0.48) OPRL1POLBKMT2AKDM4ECCR3
SCHEMBL9175281 0.85 OPRL1 (0.49) OPRL1POLBKMT2AKDM4ECCR3
SCHEMBL19322400 0.83 OPRL1 (0.53) OPRL1POLBKMT2AKDM4ECCR3
Hydrochloric Acid SCHEMBL9179035 0.82 POLB (0.54) OPRL1POLBKMT2AKDM4ECCR3
SCHEMBL3222218 0.82 OPRL1 (0.51) OPRL1POLBKMT2AKDM4ECCR3
Hydrochloric Acid SCHEMBL9718148 0.82 POLB (0.54) OPRL1POLBKMT2AKDM4ECCR3
SCHEMBL17606266 0.80 OPRL1 (0.49) OPRL1POLBKMT2AKDM4ECCR3
SCHEMBL17609039 0.79 NPFFR1 (0.48) OPRL1POLBCYP3A4CYP2D6TSHR
SCHEMBL9178518 0.78 OPRL1 (0.48) OPRL1POLBKMT2AKDM4ECCR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1515965-B1 PHENYLAMINOPYRIMIDINES AND THEIR USE AS RHO-KINASE INHIBITORS BAYER SCHERING PHARMA AG (DE) 2010-10-06 EP disclosed
EP-1515965-B1 PHENYLAMINOPYRIMIDINES AND THEIR USE AS RHO-KINASE INHIBITORS BAYER SCHERING PHARMA AG (DE) 2010-10-06 EP disclosed
US-7091198-B1 2,5-disubstituted pyrimidine derivatives BAYER HEALTHCARE AG (DE) 2006-08-15 US disclosed
US-20060167016-A1 2,5-DISUBSTITUTED PYRIMIDINE DERIVATIVES BAYER HEALTHCARE AG (DE) 2006-07-27 US disclosed
EP-1525202-B1 NOVEL 2,5-DISUBSTITUTED PYRIMIDINE DERIVATIVES BAYER HEALTHCARE AG (DE) 2006-01-11 EP disclosed
EP-1525202-A1 NOVEL 2,5-DISUBSTITUTED PYRIMIDINE DERIVATIVES Bayer HealthCare AG (DE) 2005-04-27 EP disclosed
EP-1515965-A1 PHENYLAMINOPYRIMIDINES AND THEIR USE AS RHO-KINASE INHIBITORS Bayer Aktiengesellschaft (DE) 2005-03-23 EP disclosed
WO-2004009589-A1 NOVEL 2,5-DISUBSTITUTED PYRIMIDINE DERIVATIVES BAYER HEALTHCARE AG (DE) 2004-01-29 WO disclosed
WO-2003106450-A1 PHENYLAMINOPYRIMIDINES AND THEIR USE AS RHO-KINASE INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2003-12-24 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-20060167016-A1 2,5-DISUBSTITUTED PYRIMIDINE DERIVATIVES PDE7A, P2RY2, CGAS OPRL1 901/4885POLB 3442/4885KMT2A 4299/4885

“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.