SCHEMBL6310081

SCHEMBL6310081

CC1CC2CCN1CC2NC(=O)c1ccc(Oc2ccccc2C#N)cc1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 8/20 0.53
MAPK14 Q16539 4/20 0.47
CYP3A4 P08684 1/20 0.44
USP30 Q70CQ3 2/20 0.43
KCNH2 Q12809 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.42
POLB P06746 1/20 0.40
GAA P10253 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
SCHEMBL6306420 0.87 EZH2 (0.50) EZH2GAA
SCHEMBL6309932 0.86 PARP10 (0.43) USP30
SCHEMBL6303177 0.86 CHRNA7 (0.41) EZH2USP30
SCHEMBL6311265 0.86 EZH2 (0.51) EZH2MAPK14USP30
SCHEMBL6310185 0.85 HRH2 (0.45) USP30POLB
SCHEMBL6309511 0.85 MMP2 (0.52) EZH2USP30
SCHEMBL6309625 0.85 CHRNA7 (0.40) USP30
SCHEMBL6885039 0.84 EZH2 (0.56) EZH2MAPK14CYP3A4USP30
SCHEMBL6305969 0.84 CTNNB1 (0.42) EZH2USP30
SCHEMBL6310466 0.84 MAPK14 (0.56) EZH2MAPK14CYP3A4USP30KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030236279-A1 Substituted-aryl compounds for treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US claimed
US-6852716-B2 Substituted-aryl compounds for treatment of disease PFIZER INC (US) 2005-02-08 US disclosed
US-20030236279-A1 Substituted-aryl compounds for treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 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-20030236279-A1 Substituted-aryl compounds for treatment of disease NAT1, CYP7A1, CYP7B1 EZH2 4701/4885MAPK14 2726/4885CYP3A4 157/4885

“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.