SCHEMBL4286954

SCHEMBL4286954

COC[C@]1(O)CCCC[C@H]1n1cnc(C(=O)N2CCNC[C@H]2Cn2nnc3ccccc32)c1-c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
USP19 O94966 8/20 0.36
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CDK9 P50750 1/20 0.32
GFER P55789 1/20 0.31
ALDH1A1 P00352 1/20 0.31
REN P00797 1/20 0.30
APAF1 O14727 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL4284651 0.93 USP19 (0.35) USP19CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4293884 0.91 CDK9 (0.32) USP19CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4286413 0.89 USP19 (0.39) USP19RENAPAF1
Hydrochloric Acid SCHEMBL4289938 0.88 USP19 (0.35) USP19
SCHEMBL4284841 0.87 USP19 (0.40) USP19
Hydrochloric Acid SCHEMBL4292971 0.87 USP19 (0.37) USP19
SCHEMBL13705388 0.86 CA1 (0.40) USP19CYP3A4REN
SCHEMBL4291024 0.86 USP19 (0.39) USP19
SCHEMBL13341800 0.86 CA1 (0.40) USP19CYP3A4REN
SCHEMBL4285554 0.86 CA1 (0.40) USP19CYP3A4REN

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-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 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 (2 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-20090156612-A1 Substituted imidazole compound and use thereof REN, ACE, AGT USP19 1993/4885CYP3A4 50/4885CYP2D6 173/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT USP19 1993/4885CYP3A4 50/4885CYP2D6 173/4885

“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.