SCHEMBL14801382

SCHEMBL14801382

O=c1oc2cc(OCc3cnc(Nc4ccc(OC(F)F)cc4)nc3)ccc2n1CO

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TNIK Q9UKE5 2/20 0.42
▸ GRM5 P41594 1/20 0.38
▸ P2RX3 P56373 3/20 0.36
▸ EGFR P00533 5/20 0.35
▸ ERBB2 P04626 1/20 0.35
▸ FFAR1 O14842 1/20 0.34
▸ FFAR4 Q5NUL3 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ MRGPRX4 Q96LA9 1/20 0.34
▸ GRIN1 Q05586 1/20 0.33
▸ GRIN2B Q13224 1/20 0.33
▸ ALKBH1 Q13686 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
SCHEMBL14804136 0.88 FFAR1 (0.44) ERBB2FFAR1FFAR4ALDH1A1SMN1; SMN2
SCHEMBL14800725 0.87 MAPT (0.45) TNIKP2RX3EGFRERBB2SMN1; SMN2
SCHEMBL14818895 0.86 TNIK (0.40) TNIKGRM5EGFRERBB2FFAR1
SCHEMBL14800906 0.77 ENPP2 (0.45) GRM5
SCHEMBL14804131 0.74 FFAR1 (0.42) TNIKEGFRERBB2FFAR1FFAR4
SCHEMBL14800428 0.74 TNIK (0.40) TNIKEGFRERBB2FFAR1FFAR4
SCHEMBL14800724 0.70 ROCK1 (0.48) GRM5ALDH1A1MRGPRX4ALKBH1
Carbamic Acid SCHEMBL14800970 0.69 ALKBH1 (0.44) GRM5ALDH1A1MRGPRX4ALKBH1
SCHEMBL14818909 0.67 GRM5 (0.42) GRM5P2RX3ALDH1A1MRGPRX4ALKBH1
SCHEMBL14800659 0.67 GRM5 (0.46) GRM5P2RX3ALDH1A1

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 9 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
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
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
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
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 20/4885P2RX3 265/4885

“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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