SCHEMBL10070514

SCHEMBL10070514

Cc1ccc(OC(=O)N2CCC(c3cc(-c4ccccc4)n[nH]3)CC2)cn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.56
DRD4 P21917 5/20 0.47
DRD2 P14416 4/20 0.47
DRD3 P35462 2/20 0.47
MAPT P10636 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
ALDH1A1 P00352 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CPT2 P23786 1/20 0.45
CPT1A P50416 1/20 0.45
GAA P10253 1/20 0.44
USP30 Q70CQ3 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
KDM5A P29375 1/20 0.43
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42

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
SCHEMBL1653117 0.86 DRD2 (0.56) HTTDRD4DRD2DRD3MEN1
SCHEMBL10040536 0.79 SPR (0.45) SMN1; SMN2MEN1KMT2AGAALMNA
SCHEMBL1653301 0.79 HTT (0.79) HTTDRD4DRD2DRD3MAPT
SCHEMBL10040594 0.78 DRD2 (0.47) DRD4DRD2DRD3SMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL1653033 0.78 SPR (0.45) SMN1; SMN2MEN1KMT2AGAALMNA
SCHEMBL10040543 0.78 MAPT (0.52) MAPTSMN1; SMN2GAACYP2C9
SCHEMBL1653123 0.77 GAA (0.46) SMN1; SMN2MEN1KMT2AGAALMNA
SCHEMBL30674443 0.75 GAA (0.62) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL10040546 0.75 TUBB4A (0.53) HTTSMN1; SMN2ALDH1A1GAALMNA
SCHEMBL12783828 0.75 HTT (0.49) HTTDRD4DRD2DRD3MEN1

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 HTT 3242/4885DRD4 3846/4885DRD2 3821/4885

“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.