SCHEMBL2776483

SCHEMBL2776483

CC[C@H](NC(=O)c1nc2ccccc2nc1O)C(=O)N1CCC(Oc2ccc(F)c(F)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.42
P2RY12 Q9H244 11/20 0.42
CNR1 P21554 1/20 0.41
P2RX7 Q99572 2/20 0.39
NAMPT P43490 1/20 0.39
HRH1 P35367 1/20 0.39
CCR3 P51677 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL2773777 0.91 NAMPT (0.43) CCR1P2RY12CNR1NAMPT
SCHEMBL2776029 0.90 CNR1 (0.40) CCR1P2RY12CNR1P2RX7
SCHEMBL2775592 0.89 HRH3 (0.42) P2RY12CNR1P2RX7NAMPTHRH1
SCHEMBL2774490 0.89 CCR1 (0.52) CCR1P2RY12CNR1NAMPT
SCHEMBL12977930 0.88 NAMPT (0.43) CCR1P2RY12NAMPT
SCHEMBL2776300 0.87 CCR1 (0.46) CCR1P2RY12CNR1NAMPTHRH1
SCHEMBL2776115 0.87 CNR1 (0.41) CCR1P2RY12CNR1P2RX7NAMPT
SCHEMBL2777374 0.87 LMNA (0.44) CCR1P2RY12P2RX7
SCHEMBL2774059 0.87 P2RY12 (0.45) CCR1P2RY12CNR1NAMPT
SCHEMBL2775315 0.87 CCR1 (0.42) CCR1P2RY12CNR1P2RX7NAMPT

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 4 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

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 1428/4885P2RY12 2053/4885CNR1 56/4885

“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.