SCHEMBL10069716

SCHEMBL10069716

Cc1ccc(OC(=O)N2CCC(c3nc(-c4ccc(Cl)cc4)n[nH]3)CC2)cn1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 1/20 0.42
HSD11B1 P28845 1/20 0.41
PDK2 Q15119 2/20 0.41
AOC3 Q16853 6/20 0.40
KDM5A P29375 2/20 0.39
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
TLR9 Q9NR96 1/20 0.39
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
P2RY12 Q9H244 1/20 0.39
TRPA1 O75762 1/20 0.38
FAAH O00519 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
SCHEMBL1653319 0.91 KIT (0.46) HTR2BPDK2AOC3KDM5AROCK2
SCHEMBL10069537 0.89 HSD11B1 (0.43) HSD11B1KDM5AHRH3TLR9TLR8
SCHEMBL10070119 0.88 LIPE (0.47) PDK2AOC3TRPA1FAAH
SCHEMBL10070093 0.86 CPT1A (0.40) AOC3KDM5AROCK2ROCK1TLR9
SCHEMBL10069712 0.84 CPT1A (0.48) HSD11B1KDM5ATLR9TLR8TLR7
SCHEMBL10070552 0.83 HTR2B (0.43) HTR2BHSD11B1KDM5AHRH3TLR9
SCHEMBL10069541 0.82 AKT1 (0.39) AOC3KDM5AFAAH
SCHEMBL10070100 0.82 CPT2 (0.49) P2RY12TRPA1
SCHEMBL10070551 0.80 AOC3 (0.45) PDK2AOC3KDM5AFAAH
SCHEMBL1653375 0.79 CNR1 (0.53) PDK2FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2308869-B1 AZOLE COMPOUND ASTELLAS PHARMA INC (JP) 2012-09-19 EP disclosed
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
EP-2308869-A1 AZOLE COMPOUND Astellas Pharma Inc. (JP) 2011-04-13 EP disclosed
WO-2010007966-A1 AZOLE COMPOUND アステラス製薬株式会社 (JP) 2010-01-21 WO 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 HTR2B 2418/4885HSD11B1 2752/4885PDK2 3662/4885

“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.