SCHEMBL998966

SCHEMBL998966

COc1ccc2[nH]c3c(c2c1)CCN(C(=O)Nc1cc(C)cc(C)c1)C3(C)c1cccc(F)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
MEN1 O00255 2/20 0.44
TP53 P04637 2/20 0.43
MAPT P10636 2/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TRPA1 O75762 2/20 0.40
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA7 P36544 1/20 0.39
CHRNA4 P43681 1/20 0.39
USP2 O75604 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
CYP3A4 P08684 1/20 0.39
KDR P35968 1/20 0.39
TRPV1 Q8NER1 1/20 0.39

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
SCHEMBL999397 0.88 TRPV1 (0.49) KMT2AMEN1TP53TRPV1
SCHEMBL997329 0.72 TRPV1 (0.67) KDRTRPV1
SCHEMBL998070 0.70 CFTR (0.52)
SCHEMBL7498322 0.70 BAZ2B (0.56) KMT2AMEN1ATML3MBTL1TRPA1
SCHEMBL2034601 0.69 PAX8 (0.51) TP53MAPTUSP2ALDH1A1TSHR
SCHEMBL997020 0.68 MAPT (0.62) TP53MAPTTRPV1
SCHEMBL997731 0.68 TRPV1 (0.67) TRPV1
SCHEMBL8025903 0.67 MAPKAPK2 (0.51) KMT2AMEN1L3MBTL1TRPA1CHRNB2
SCHEMBL997296 0.67 MAPT (0.62) TP53MAPTTRPV1
SCHEMBL2141530 0.67 OPRM1 (0.60)

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
EP-1637521-B1 NOVEL TRICYCLIC HETEROCYCLE COMPOUND ONO PHARMACEUTICAL CO (JP) 2013-06-19 EP disclosed
US-7872133-B2 Tricyclic heterocycle compound ONO PHARMACEUTICAL CO., LTD. (JP) 2011-01-18 US disclosed
US-20060154944-A1 Novel tricyclic heterocycle compound ONO PHARMACEUTICAL CO., LTD. (JP) 2006-07-13 US disclosed
EP-1637521-A1 NOVEL TRICYCLIC HETEROCYCLE COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2006-03-22 EP 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-20060154944-A1 Novel tricyclic heterocycle compound CYP11B1, CYP11B2, HCCS KMT2A 2539/4885MEN1 1017/4885TP53 945/4885

“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.