SCHEMBL14800729

SCHEMBL14800729

COc1nc(Nc2ccc(OC(F)F)cc2)ncc1COc1ccc2[nH]c(=O)ccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 1/20 0.41
▸ CDK4 P11802 1/20 0.36
▸ CCND1 P24385 1/20 0.36
▸ CCND2 P30279 1/20 0.36
▸ CCND3 P30281 1/20 0.36
▸ SYK P43405 2/20 0.35
▸ PDE3B Q13370 1/20 0.35
▸ PDE3A Q14432 1/20 0.35
▸ AURKA O14965 2/20 0.34
▸ GALR2 O43603 1/20 0.34
▸ GALR1 P47211 1/20 0.34
▸ EGFR P00533 3/20 0.34
▸ ENPP1 P22413 1/20 0.34
▸ MAPT P10636 4/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ GAA P10253 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ APAF1 O14727 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34

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 0.77 GRM5 (0.47) GRM5SYKAURKAGALR2GALR1
SCHEMBL14800874 0.76 GRM5 (0.47) GRM5SYKAURKAGALR2GALR1
Hydrochloric Acid SCHEMBL14800117 0.76 GRM5 (0.47) GRM5SYKAURKAGALR2GALR1
SCHEMBL14800596 0.71 F11 (0.45) PDE3BPDE3AEGFRMAPTLMNA
SCHEMBL14833175 0.69 KCNH2 (0.43) PDE3BPDE3AEGFRMAPTTP53
SCHEMBL14800906 0.69 ENPP2 (0.45) GRM5SYKJAK2CYP3A4JAK1
SCHEMBL14800732 0.68 KCNH2 (0.44) CDK4MAPTLMNA
SCHEMBL14816294 0.67 TP53 (0.40) PDE3BPDE3AMAPTLMNATP53
SCHEMBL14800780 0.67 MAPT (0.60) GRM5SYKMAPTKDM4ELMNA
SCHEMBL14800145 0.64 P2RX3 (0.41) ENPP1MAPTKDM4ELMNANPC1

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 GRM5 20/4885CDK4 3036/4885CCND1 4177/4885

“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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