SCHEMBL14800428

SCHEMBL14800428

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

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TNIK Q9UKE5 1/20 0.40
▸ AR P10275 1/20 0.39
▸ CYP19A1 P11511 2/20 0.38
▸ CYP11B1 P15538 2/20 0.38
▸ CYP11B2 P19099 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ MAOB P27338 1/20 0.35
▸ SYK P43405 1/20 0.34
▸ ERBB2 P04626 1/20 0.34
▸ TDO2 P48775 1/20 0.34
▸ EGFR P00533 2/20 0.34
▸ FFAR1 O14842 2/20 0.33
▸ FFAR4 Q5NUL3 1/20 0.33
▸ SCN10A Q9Y5Y9 1/20 0.33

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) TNIKARMAOBERBB2EGFR
SCHEMBL14818895 0.89 TNIK (0.40) TNIKCYP19A1CYP11B1CYP11B2ERBB2
SCHEMBL14800725 0.86 MAPT (0.45) TNIKARCYP19A1CYP11B1CYP11B2
SCHEMBL14804136 0.76 FFAR1 (0.44) MAPTMAOBERBB2FFAR1FFAR4
SCHEMBL14801382 0.74 TNIK (0.42) TNIKERBB2EGFRFFAR1FFAR4
SCHEMBL14800038 0.69 MIF (0.44) TNIKMAPT
SCHEMBL31667435 0.68 MIF (0.53) POLBMAPT
SCHEMBL32686754 0.67 NPC1 (0.43) TNIK
SCHEMBL32686737 0.67 NPC1 (0.40) TNIK
SCHEMBL14804156 0.67 CYP4F2 (0.37) SYK

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 5 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
EP-2760843-A2 SELECTIVE NR2B ANTAGONISTS Bristol-Myers Squibb Company (US) 2014-08-06 — — EP 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 2922/4885AR 1075/4885CYP19A1 3143/4885

“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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