SCHEMBL10040593

SCHEMBL10040593

O=C(Oc1cccnc1)N1CCC(n2cnc(-c3ccccc3)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.48
DRD4 P21917 1/20 0.48
DRD3 P35462 1/20 0.48
FAAH O00519 1/20 0.45
GAA P10253 1/20 0.44
KDM2B Q8NHM5 1/20 0.43
ADORA2A P29274 3/20 0.42
ADORA1 P30542 3/20 0.42
FNTA P49354 3/20 0.42
FNTB P49356 3/20 0.42
CYP2C9 P11712 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
GPR119 Q8TDV5 1/20 0.40
MGLL Q99685 1/20 0.40
EPHX1 P07099 1/20 0.40
TRPA1 O75762 1/20 0.40

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
SCHEMBL10040594 0.87 DRD2 (0.47) DRD2DRD4DRD3GAAKDM2B
SCHEMBL1653182 0.82 DRD2 (0.48) DRD2DRD4DRD3FAAHGAA
SCHEMBL10040595 0.81 DRD2 (0.47) DRD2DRD4DRD3GAAKDM2B
SCHEMBL10040617 0.80 FAAH (0.46) FAAHGAAADORA2AADORA1FNTA
SCHEMBL10040602 0.79 GAA (0.45) FAAHGAACYP2C9NPC1RAB9A
SCHEMBL1582232 0.79 DRD2 (0.62) DRD2DRD4DRD3KDM2BCYP2C9
SCHEMBL14938130 0.78 FAAH (0.48) FAAHGAAADORA2AADORA1CYP2C9
SCHEMBL1653339 0.78 GPR119 (0.61) DRD2DRD4DRD3KDM2BGPR119
SCHEMBL1532959 0.78 GAA (0.52) FAAHGAAFNTAFNTBCYP2C9
SCHEMBL1653117 0.77 DRD2 (0.56) DRD2DRD4DRD3FAAHGAA

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 7 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-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 3846/4885DRD3 3533/4885

“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.