SCHEMBL10070095

SCHEMBL10070095

Cc1ncccc1OC(=O)N1CCC(c2nc(-c3cccc(C(F)(F)F)c3)n[nH]2)CC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CPT2 P23786 2/20 0.49
CPT1A P50416 2/20 0.49
CPT1B Q92523 1/20 0.49
GPR142 Q7Z601 8/20 0.44
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TRPA1 O75762 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
HCRTR1 O43613 3/20 0.39
HCRTR2 O43614 3/20 0.39
P2RY12 Q9H244 1/20 0.39
SLC6A7 Q99884 1/20 0.38
HSD11B1 P28845 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 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
SCHEMBL10070517 0.91 TRPV1 (0.42) CPT2CPT1ACPT1BGPR142LMNA
SCHEMBL10070536 0.89 CPT1A (0.46) CPT2CPT1ACPT1BGPR142HCRTR1
SCHEMBL10069714 0.87 HSD11B1 (0.43) GPR142NPSR1TRPA1P2RY12HSD11B1
SCHEMBL10070539 0.87 P2RY12 (0.47) HCRTR1HCRTR2P2RY12HSD11B1
SCHEMBL10070106 0.86 CPT1A (0.46) CPT2CPT1AHCRTR1HCRTR2P2RY12
SCHEMBL10070550 0.85 CPT1A (0.40) CPT1AHCRTR1HCRTR2P2RY12HSD11B1
SCHEMBL10070076 0.85 KIT (0.44) LMNAHTTP2RY12HSD11B1MAPK11
SCHEMBL10070100 0.85 CPT2 (0.49) CPT2CPT1ACPT1BGPR142TRPA1
SCHEMBL10070552 0.83 HTR2B (0.43) NPSR1TRPA1P2RY12HSD11B1MAPK11
SCHEMBL10070107 0.81 AKT1 (0.42) CPT2CPT1AHCRTR1HCRTR2

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-8207199-B2 Azole compound ASTELLAS PHARMA INC. (JP) 2012-06-26 US disclosed
US-20110118311-A1 AZOLE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-05-19 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-20110118311-A1 AZOLE COMPOUND FAAH, FAAH2, TRPV1 CPT2 2583/4885CPT1A 1233/4885CPT1B 1850/4885

“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.