SCHEMBL14818895

SCHEMBL14818895

C[Si](C)(C)CCOCn1c(=O)oc2cc(OCc3cnc(Nc4ccc(OC(F)F)cc4)nc3)ccc21

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TNIK Q9UKE5 5/20 0.40
▸ GRM5 P41594 1/20 0.37
▸ FFAR1 O14842 5/20 0.35
▸ FFAR4 Q5NUL3 4/20 0.35
▸ ERBB2 P04626 1/20 0.34
▸ EGFR P00533 4/20 0.34
▸ MET P08581 1/20 0.33
▸ CYP19A1 P11511 1/20 0.32
▸ CYP11B1 P15538 1/20 0.32
▸ CYP11B2 P19099 1/20 0.32

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
SCHEMBL14804131 0.90 FFAR1 (0.42) TNIKFFAR1FFAR4ERBB2EGFR
SCHEMBL14800428 0.89 TNIK (0.40) TNIKFFAR1FFAR4ERBB2EGFR
SCHEMBL14801382 0.86 TNIK (0.42) TNIKGRM5FFAR1FFAR4ERBB2
SCHEMBL14804136 0.76 FFAR1 (0.44) FFAR1FFAR4ERBB2MET
SCHEMBL14800394 0.74 CDK4 (0.37) GRM5
SCHEMBL14800393 0.74 CDK4 (0.37) GRM5
SCHEMBL14800991 0.74 GRM5 (0.39) GRM5
SCHEMBL14800725 0.74 MAPT (0.45) TNIKERBB2EGFRCYP19A1CYP11B1
SCHEMBL14800906 0.73 ENPP2 (0.45) GRM5
SCHEMBL14800038 0.69 MIF (0.44) TNIK

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-2760843-B1 SELECTIVE NR2B ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2016-03-02 — — EP disclosed
US-8841301-B2 Selective NR2B antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-23 — — US disclosed
WO-2013048949-A2 SELECTIVE NR2B ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 — — WO disclosed
US-20130079338-A1 Selective NR2B Antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-28 — — 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-20130079338-A1 Selective NR2B Antagonists GRIN2B, GRIN2A, GRIN3A TNIK 2922/4885GRM5 20/4885FFAR1 415/4885

“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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