SCHEMBL14800874

SCHEMBL14800874

COc1nc(Nc2ccc(OC(F)F)cc2)ncc1CO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 1/20 0.47
▸ SYK P43405 4/20 0.44
▸ AURKA O14965 3/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ GSK3A P49840 2/20 0.41
▸ GSK3B P49841 2/20 0.41
▸ ROCK1 Q13464 1/20 0.41
▸ GALR2 O43603 1/20 0.40
▸ GALR1 P47211 1/20 0.40
▸ LMNA P02545 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ CDK5 Q00535 1/20 0.39
▸ CDK5R1 Q15078 1/20 0.39
▸ DHFR P00374 1/20 0.39
▸ DAPK1 P53355 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ MAPK1 P28482 1/20 0.39

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
SCHEMBL14804148 0.89 GRM5 (0.47) GRM5SYKAURKAKDM4EGSK3A
Hydrochloric Acid SCHEMBL14800117 0.88 GRM5 (0.47) GRM5SYKAURKAKDM4EGSK3A
SCHEMBL14800780 0.78 MAPT (0.60) GRM5SYKKDM4ELMNAALDH1A1
SCHEMBL14800729 0.76 GRM5 (0.41) GRM5SYKAURKAKDM4EGALR2
SCHEMBL23633036 0.75 HTT (0.47) GRM5SYKAURKAKDM4EGSK3A
SCHEMBL26506639 0.73 MAPK8 (0.49) SYKGSK3AGSK3BALDH1A1MEN1
SCHEMBL14800933 0.71 SYK (0.46) GRM5SYKAURKAKDM4EGSK3A
SCHEMBL14800659 0.69 GRM5 (0.46) GRM5SYKKDM4EGSK3AGSK3B
SCHEMBL26506559 0.69 ULK1 (0.54) GRM5GSK3AGSK3BALDH1A1MEN1
SCHEMBL14800409 0.67 AURKA (0.43) GRM5SYKAURKAKDM4EROCK1

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 11 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
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
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 GRM5 20/4885SYK 2675/4885AURKA 4251/4885

“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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