SCHEMBL1653117

SCHEMBL1653117

O=C(Oc1cccnc1)N1CCC(c2cc(-c3ccccc3)n[nH]2)CC1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.56
DRD4 P21917 4/20 0.56
HTT P42858 1/20 0.53
DRD3 P35462 2/20 0.49
FAAH O00519 1/20 0.49
USP30 Q70CQ3 6/20 0.48
CPT2 P23786 1/20 0.46
CPT1A P50416 1/20 0.46
AKT1 P31749 2/20 0.46
AKT2 P31751 2/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
AKT3 Q9Y243 1/20 0.44
SCD O00767 1/20 0.43
SCD5 Q86SK9 1/20 0.43
GAA P10253 1/20 0.43
NAMPT P43490 1/20 0.43

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
SCHEMBL10070514 0.86 HTT (0.56) DRD2DRD4HTTDRD3USP30
SCHEMBL1652509 0.80 FAAH (0.49) FAAHUSP30CPT2CPT1ASCD
SCHEMBL10070073 0.80 FAAH (0.53) FAAHSCDSCD5GAA
SCHEMBL1653301 0.78 HTT (0.79) DRD2DRD4HTTDRD3USP30
SCHEMBL10040534 0.78 FAAH (0.72) FAAHCPT2CPT1A
Hydrochloric Acid SCHEMBL1654830 0.77 FAAH (0.71) FAAHCPT2CPT1A
SCHEMBL10040593 0.77 DRD2 (0.48) DRD2DRD4DRD3FAAHGAA
SCHEMBL1652071 0.77 ALDH1A1 (0.51) FAAHSCDSCD5GAA
SCHEMBL12783828 0.77 HTT (0.49) DRD2DRD4HTTDRD3USP30
SCHEMBL10040617 0.76 FAAH (0.46) FAAHMEN1KMT2AGAA

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 8 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
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-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
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 DRD2 3821/4885DRD4 3846/4885HTT 3242/4885

“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.