SCHEMBL10070107

SCHEMBL10070107

Cc1ncccc1OC(=O)N1CCC(c2nc(-c3cc(F)ccc3F)n[nH]2)CC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.42
AKT2 P31751 1/20 0.42
HCRTR1 O43613 9/20 0.41
HCRTR2 O43614 9/20 0.41
CPT1A P50416 2/20 0.39
CDK9 P50750 6/20 0.38
CCNT1 O60563 5/20 0.38
CPT2 P23786 1/20 0.38
FASN P49327 1/20 0.37
CASP3 P42574 1/20 0.37
CASP7 P55210 1/20 0.37
MAP3K14 Q99558 1/20 0.36

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
SCHEMBL10070556 0.93 HCRTR1 (0.42) AKT1AKT2HCRTR1HCRTR2CPT1A
SCHEMBL1654836 0.91 CPT2 (0.46) AKT1AKT2HCRTR1HCRTR2CPT1A
SCHEMBL10069540 0.88 HCRTR1 (0.41) AKT1AKT2HCRTR1HCRTR2CPT1A
SCHEMBL10070536 0.88 CPT1A (0.46) AKT1AKT2HCRTR1HCRTR2CPT1A
SCHEMBL10070106 0.88 CPT1A (0.46) AKT1AKT2HCRTR1HCRTR2CPT1A
SCHEMBL10070550 0.88 CPT1A (0.40) AKT1AKT2HCRTR1HCRTR2CPT1A
SCHEMBL10070076 0.88 KIT (0.44) AKT1AKT2
SCHEMBL10069541 0.84 AKT1 (0.39) AKT1AKT2CPT1ACDK9CCNT1
SCHEMBL10070512 0.84 HSD11B1 (0.42) HCRTR1HCRTR2
SCHEMBL10070539 0.84 P2RY12 (0.47) HCRTR1HCRTR2

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 AKT1 3141/4885AKT2 3834/4885HCRTR1 314/4885

“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.