SCHEMBL10040561

SCHEMBL10040561

O=C(Oc1cccnc1)N1CCC(c2noc(-c3ccc(F)cc3)n2)CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FAAH O00519 6/20 0.45
IDO1 P14902 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
USP7 Q93009 1/20 0.43
NAMPT P43490 1/20 0.41
RXFP3 Q9NSD7 1/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
PKM P14618 1/20 0.41
RAB9A P51151 1/20 0.41
HTT P42858 1/20 0.41
GPR119 Q8TDV5 1/20 0.41
LMNA P02545 2/20 0.41
KMT2A Q03164 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
TSHR P16473 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
SCHEMBL10040562 0.86 SMN1; SMN2 (0.46) FAAHIDO1SMN1; SMN2USP7HTT
SCHEMBL1652962 0.83 LMNA (0.60) SMN1; SMN2PKMHTTLMNAKMT2A
SCHEMBL10040563 0.82 SMN1; SMN2 (0.49) IDO1SMN1; SMN2USP7NAMPTHTT
SCHEMBL1653169 0.82 MAPT (0.52) FAAHNAMPTTP53GPR119
SCHEMBL10040569 0.78 FAAH (0.46) FAAHNAMPTTP53GPR119LMNA
SCHEMBL10040567 0.78 SMN1; SMN2 (0.42) FAAHSMN1; SMN2USP7NPC1RAB9A
SCHEMBL10070548 0.77 NAMPT (0.43) FAAHNAMPTGPR119
SCHEMBL10040564 0.77 USP7 (0.46) IDO1SMN1; SMN2USP7NPC1RAB9A
SCHEMBL10040626 0.77 GRM5 (0.56) HTT
SCHEMBL10040565 0.77 SMN1; SMN2 (0.44) IDO1SMN1; SMN2USP7NPC1RAB9A

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 FAAH 1/4885IDO1 107/4885SMN1; 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.