SCHEMBL10040581

SCHEMBL10040581

Cc1cc(C)c(OC(=O)N2CCC(c3noc(-c4ccc(F)cc4F)n3)CC2)cn1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 5/20 0.41
KCNH2 Q12809 1/20 0.41
HCRTR1 O43613 3/20 0.38
HCRTR2 O43614 3/20 0.38
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
APLNR P35414 1/20 0.37
SMO Q99835 1/20 0.37
CPT1A P50416 1/20 0.37
PRCP P42785 2/20 0.37
SMN1; SMN2 Q16637 2/20 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
SCHEMBL10040592 0.93 KCNH2 (0.39) KCNH2HCRTR1HCRTR2RAB9ANPC1
SCHEMBL10040565 0.89 SMN1; SMN2 (0.44) RAB9ANPC1SMOSMN1; SMN2
SCHEMBL10040570 0.87 FAAH (0.39) ACKR3KCNH2HCRTR1HCRTR2APLNR
SCHEMBL10040580 0.86 RAB9A (0.40) ACKR3KCNH2HCRTR1HCRTR2RAB9A
SCHEMBL10040582 0.86 USP7 (0.38) RAB9ANPC1SMOSMN1; SMN2
SCHEMBL10040577 0.85 HCRTR1 (0.44) ACKR3KCNH2HCRTR1HCRTR2RAB9A
SCHEMBL10040586 0.85 KDM4E (0.41) ACKR3RAB9ANPC1SMN1; SMN2
SCHEMBL10040589 0.80 KCNH2 (0.40) KCNH2HCRTR1HCRTR2APLNRCPT1A
SCHEMBL10040508 0.80 SMN1; SMN2 (0.53) SMN1; SMN2
SCHEMBL13513893 0.79 SMO (0.33) SMOCPT1ASMN1; SMN2

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 4 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

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 ACKR3 573/4885KCNH2 140/4885HCRTR1 314/4885

“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.