SCHEMBL10040580

SCHEMBL10040580

Cc1ccc(OC(=O)N2CCC(c3noc(-c4ccc(F)cc4F)n3)CC2)c(C)n1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
ACKR3 P25106 1/20 0.40
KCNH2 Q12809 1/20 0.40
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
SMO Q99835 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
FAAH O00519 2/20 0.36
OPRM1 P35372 1/20 0.36
CASP3 P42574 1/20 0.35
CDK9 P50750 1/20 0.35
CASP7 P55210 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL10040591 0.93 KCNH2 (0.40) RAB9ANPC1KCNH2HCRTR1HCRTR2
SCHEMBL10040577 0.89 HCRTR1 (0.44) RAB9ANPC1ACKR3KCNH2HCRTR1
SCHEMBL10040564 0.87 USP7 (0.46) RAB9ANPC1HCRTR1HCRTR2KMT2A
SCHEMBL10040568 0.86 USP7 (0.41) RAB9ANPC1KMT2AMEN1SMO
SCHEMBL10040581 0.86 ACKR3 (0.41) RAB9ANPC1ACKR3KCNH2HCRTR1
SCHEMBL10040570 0.85 FAAH (0.39) ACKR3KCNH2HCRTR1HCRTR2SMN1; SMN2
SCHEMBL1653044 0.85 KDM4E (0.42) RAB9ANPC1ACKR3KMT2AMEN1
SCHEMBL10040590 0.82 HCRTR1 (0.42) KCNH2HCRTR1HCRTR2SMOSMN1; SMN2
SCHEMBL10040508 0.82 SMN1; SMN2 (0.53) SMN1; SMN2
SCHEMBL10040592 0.79 KCNH2 (0.39) RAB9ANPC1KCNH2HCRTR1HCRTR2

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
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
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 RAB9A 2756/4885NPC1 2134/4885ACKR3 573/4885

“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.