SCHEMBL2774490

SCHEMBL2774490

CC[C@H](NC(=O)c1nc2ccccc2nc1O)C(=O)N1CCC(Oc2ccc(Cl)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 9/20 0.52
NAMPT P43490 1/20 0.43
EPHX2 P34913 2/20 0.42
SRD5A1 P18405 1/20 0.41
P2RY12 Q9H244 2/20 0.41
POLB P06746 1/20 0.41
CNR1 P21554 1/20 0.41

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
SCHEMBL12977930 0.92 NAMPT (0.43) CCR1NAMPTSRD5A1P2RY12POLB
SCHEMBL2773777 0.91 NAMPT (0.43) CCR1NAMPTSRD5A1P2RY12POLB
SCHEMBL2776483 0.89 CCR1 (0.42) CCR1NAMPTP2RY12CNR1
SCHEMBL2774038 0.89 HRH3 (0.45) CCR1NAMPTEPHX2SRD5A1P2RY12
SCHEMBL2774059 0.89 P2RY12 (0.45) CCR1NAMPTEPHX2SRD5A1P2RY12
SCHEMBL2775515 0.88 EPHX2 (0.44) CCR1NAMPTEPHX2SRD5A1CNR1
SCHEMBL2777503 0.88 CCR1 (0.47) CCR1NAMPT
SCHEMBL2774809 0.87 CCR1 (0.52) CCR1
SCHEMBL2776371 0.86 CCR1 (0.46) CCR1NAMPTEPHX2SRD5A1CNR1
SCHEMBL2780074 0.86 CCR1 (0.52) CCR1NAMPTEPHX2SRD5A1CNR1

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-20110053933-A1 HYDROXYQUINOXALINECARBOXAMIDE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-03-03 US claimed
EP-2258697-A1 HYDROXYQUINOXALINECARBOXAMIDE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2010-12-08 EP claimed
US-20110053933-A1 HYDROXYQUINOXALINECARBOXAMIDE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-03-03 US disclosed
EP-2258697-A1 HYDROXYQUINOXALINECARBOXAMIDE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2010-12-08 EP disclosed
EP-2258697-A1 HYDROXYQUINOXALINECARBOXAMIDE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2010-12-08 EP disclosed
WO-2009119537-A1 HYDROXYQUINOXALINECARBOXAMIDE DERIVATIVE 第一三共株式会社 (JP) 2009-10-01 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-20110053933-A1 HYDROXYQUINOXALINECARBOXAMIDE DERIVATIVE F12, F2, C3AR1 CCR1 1428/4885NAMPT 1696/4885EPHX2 1544/4885

“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.