SCHEMBL2776115

SCHEMBL2776115

O=C(N[C@H](C(=O)N1CCC(Oc2ccc(F)c(F)c2)CC1)C1CC1)c1nc2ccccc2nc1O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.41
SRD5A1 P18405 1/20 0.39
HRH1 P35367 1/20 0.39
CCR3 P51677 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
P2RX7 Q99572 2/20 0.38
CCR1 P32246 1/20 0.36
ACACB O00763 2/20 0.35
NAMPT P43490 1/20 0.35
GPR6 P46095 1/20 0.34
P2RY12 Q9H244 1/20 0.34
DPP4 P27487 1/20 0.34
KCNH2 Q12809 1/20 0.34
DPP7 Q9UHL4 1/20 0.34

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
SCHEMBL2774667 0.90 SRD5A1 (0.43) CNR1SRD5A1ALDH1A1CCR1NAMPT
SCHEMBL2775592 0.90 HRH3 (0.42) CNR1SRD5A1HRH1CCR3ALDH1A1
SCHEMBL2776297 0.90 MEN1 (0.40) CNR1SRD5A1ALDH1A1P2RX7
SCHEMBL2776371 0.88 CCR1 (0.46) CNR1SRD5A1ALDH1A1CCR1NAMPT
SCHEMBL2776300 0.88 CCR1 (0.46) CNR1HRH1CCR3ALDH1A1HRH3
SCHEMBL2775315 0.87 CCR1 (0.42) CNR1SRD5A1HRH1CCR3HRH3
SCHEMBL2776483 0.87 CCR1 (0.42) CNR1HRH1CCR3HRH3P2RX7
SCHEMBL2776041 0.86 THRB (0.40) ALDH1A1P2RX7CCR1GPR6
SCHEMBL2776382 0.86 LMNA (0.44) CNR1SRD5A1ALDH1A1ACACBP2RY12
SCHEMBL2774704 0.85 GPR6 (0.42) GPR6

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 CNR1 56/4885SRD5A1 141/4885HRH1 24/4885

“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.