SCHEMBL1166280

SCHEMBL1166280

CC(=O)c1ccc(Cn2ccc(NC(=O)c3ncoc3-c3ccc(OC(F)(F)F)cc3)n2)o1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 4/20 0.53
HCRTR2 O43614 3/20 0.49
HCRTR1 O43613 1/20 0.49
CACNA1G O43497 2/20 0.47
CACNA1H O95180 2/20 0.47
CACNA1I Q9P0X4 2/20 0.47
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
RAB9A P51151 1/20 0.39
GSK3B P49841 3/20 0.39
CDK2 P24941 1/20 0.38
NPSR1 Q6W5P4 4/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 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
SCHEMBL1166861 0.91 FPR2 (0.55) FPR2HCRTR2HCRTR1CACNA1GCACNA1H
SCHEMBL1166044 0.91 HCRTR2 (0.56) FPR2HCRTR2HCRTR1CACNA1GCACNA1H
SCHEMBL1166542 0.90 FPR2 (0.54) FPR2HCRTR2HCRTR1NPC1TP53
SCHEMBL1167410 0.89 FPR2 (0.56) FPR2HCRTR2HCRTR1CACNA1GCACNA1H
SCHEMBL1166487 0.88 HCRTR1 (0.57) FPR2HCRTR2HCRTR1NPC1RAB9A
SCHEMBL1165978 0.88 FPR2 (0.57) FPR2HCRTR2HCRTR1CACNA1GCACNA1H
SCHEMBL1166987 0.87 FPR2 (0.68) FPR2HCRTR2HCRTR1CACNA1GCACNA1H
SCHEMBL1166816 0.85 HCRTR2 (0.69) HCRTR2HCRTR1
SCHEMBL1166163 0.84 HCRTR2 (0.57) FPR2HCRTR2HCRTR1NPC1TP53
SCHEMBL1166934 0.84 HCRTR2 (0.58) FPR2HCRTR2HCRTR1TP53NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110034516-A1 AMINOPYRAZOLE DERIVATIVES ACTELION (CH) 2011-02-10 US claimed
US-20110034516-A1 AMINOPYRAZOLE DERIVATIVES ACTELION (CH) 2011-02-10 US 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-20110034516-A1 AMINOPYRAZOLE DERIVATIVES CYP3A43, CYP1A2, CYP3A5 FPR2 1074/4885HCRTR2 2700/4885HCRTR1 2862/4885

“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.