SCHEMBL10040577

SCHEMBL10040577

Cc1ncccc1OC(=O)N1CCC(c2noc(-c3ccc(F)cc3F)n2)CC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 3/20 0.44
HCRTR2 O43614 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.39
ACKR3 P25106 5/20 0.39
KCNH2 Q12809 1/20 0.39
SMO Q99835 1/20 0.39
SCN3A Q9NY46 1/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
FAAH O00519 2/20 0.37
CPT1A P50416 1/20 0.37
USP30 Q70CQ3 1/20 0.37
CASP3 P42574 1/20 0.37
CDK9 P50750 1/20 0.37
CASP7 P55210 1/20 0.37

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
SCHEMBL10040590 0.93 HCRTR1 (0.42) HCRTR1HCRTR2SMN1; SMN2KCNH2SMO
SCHEMBL10040580 0.89 RAB9A (0.40) HCRTR1HCRTR2SMN1; SMN2ACKR3KCNH2
SCHEMBL10040563 0.88 SMN1; SMN2 (0.49) SMN1; SMN2SMOUSP30
SCHEMBL10040585 0.86 SMN1; SMN2 (0.44) SMN1; SMN2ACKR3SMORAB9ANPC1
SCHEMBL10040581 0.85 ACKR3 (0.41) HCRTR1HCRTR2SMN1; SMN2ACKR3KCNH2
SCHEMBL10040570 0.84 FAAH (0.39) HCRTR1HCRTR2SMN1; SMN2ACKR3KCNH2
SCHEMBL10040591 0.82 KCNH2 (0.40) HCRTR1HCRTR2SMN1; SMN2KCNH2SMO
SCHEMBL10040508 0.81 SMN1; SMN2 (0.53) SMN1; SMN2USP30
SCHEMBL10070556 0.79 HCRTR1 (0.42) HCRTR1HCRTR2FAAHCPT1ACASP3
SCHEMBL12782498 0.79 SMN1; SMN2 (0.38) SMN1; SMN2SMOFAAHUSP30

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 6 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-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 HCRTR1 314/4885HCRTR2 371/4885SMN1; SMN2 1891/4885

“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.