SCHEMBL13509191

SCHEMBL13509191

CC(C)n1nc(-c2ccccc2)c(-c2ccc(Cc3ccccc3)cc2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 4/20 0.46
▸ TRPV1 Q8NER1 2/20 0.46
▸ CNR1 P21554 1/20 0.46
▸ XIAP P98170 1/20 0.41
▸ CALM1 P0DP23 1/20 0.40
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ MGLL Q99685 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ DAGLA Q9Y4D2 1/20 0.39
▸ LTA4H P09960 3/20 0.38
▸ MAOB P27338 1/20 0.37
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ CA14 Q9ULX7 1/20 0.37
▸ NR1H2 P55055 1/20 0.36

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
SCHEMBL13509088 0.81 PIK3CA (0.48) CNR2TRPV1CNR1MAOB
SCHEMBL13510735 0.81 CALM1 (0.44) CNR2TRPV1CNR1XIAPCALM1
SCHEMBL14270968 0.79 ALDH1A1 (0.48) XIAPNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL13509094 0.77 NUDT14 (0.44) MGLLLMNALTA4HALDH1A1
SCHEMBL13509150 0.77 KDM4E (0.56) CNR2CNR1NPC1RAB9ASMN1; SMN2
SCHEMBL13509081 0.75 ADORA2A (0.49) SMN1; SMN2ALDH1A1
SCHEMBL13509085 0.74 RECQL (0.38) NPC1RAB9ALMNAMAPTCA1
SCHEMBL13509082 0.72 CYP2A6 (0.48) SMN1; SMN2MAPTFYN
SCHEMBL13509030 0.72 MAPT (0.40) LMNAMAPTALDH1A1
SCHEMBL13509079 0.71 MAPK14 (0.41) —

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7662779-B2 Triazolyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2010-02-16 — — US disclosed
US-20090047248-A1 TRIAZOLYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-02-19 — — 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-20090047248-A1 TRIAZOLYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS SPINT2, PRSS1, CTSC CNR2 3335/4885TRPV1 2651/4885CNR1 2452/4885

“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.

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