SCHEMBL1166044

SCHEMBL1166044

CC(=O)c1ccc(Cn2ccc(NC(=O)c3ncoc3-c3cccc(OC(F)(F)F)c3)n2)o1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 9/20 0.56
HCRTR1 O43613 3/20 0.56
FPR2 P25090 3/20 0.52
KDM4E B2RXH2 1/20 0.45
TP53 P04637 1/20 0.45
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
SCD O00767 1/20 0.43
CACNA1G O43497 2/20 0.42
CACNA1H O95180 2/20 0.42
CACNA1I Q9P0X4 2/20 0.42
GSK3B P49841 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL1166578 0.91 HCRTR2 (0.58) HCRTR2HCRTR1FPR2KDM4ETP53
SCHEMBL1166280 0.91 FPR2 (0.53) HCRTR2HCRTR1FPR2TP53CACNA1G
SCHEMBL1166934 0.89 HCRTR2 (0.58) HCRTR2HCRTR1FPR2KDM4ETP53
SCHEMBL1167101 0.89 FPR2 (0.55) HCRTR2HCRTR1FPR2KDM4ETP53
SCHEMBL1166243 0.88 HCRTR2 (0.60) HCRTR2HCRTR1FPR2KDM4ETP53
SCHEMBL2327503 0.88 FPR2 (0.57) HCRTR2HCRTR1FPR2HDAC1HDAC6
SCHEMBL1166694 0.87 HCRTR2 (0.72) HCRTR2HCRTR1FPR2
SCHEMBL1166019 0.87 HCRTR2 (0.61) HCRTR2HCRTR1FPR2KDM4ETP53
SCHEMBL1166206 0.86 HCRTR2 (0.60) HCRTR2HCRTR1FPR2KDM4ETP53
SCHEMBL1167339 0.86 HCRTR2 (0.60) HCRTR2HCRTR1FPR2KDM4ETP53

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 HCRTR2 2700/4885HCRTR1 2862/4885FPR2 1074/4885

“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.