SCHEMBL14800724

SCHEMBL14800724

Nc1ncc(OCc2cnc(Nc3ccc(OC(F)F)cc3)nc2)cn1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 1/20 0.48
▸ GRM5 P41594 1/20 0.43
▸ ALKBH1 Q13686 1/20 0.39
▸ SYK P43405 1/20 0.38
▸ DHFR P00374 1/20 0.38
▸ LMNA P02545 2/20 0.37
▸ MRGPRX4 Q96LA9 1/20 0.36
▸ MAPT P10636 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ BMI1 P35226 2/20 0.35
▸ GALR2 O43603 1/20 0.35
▸ GALR1 P47211 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ TEAD4 Q15561 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
Carbamic Acid SCHEMBL14800970 0.83 ALKBH1 (0.44) ROCK1GRM5ALKBH1LMNAMRGPRX4
SCHEMBL14804157 0.82 MAPT (0.49) LMNAMAPTMEN1KMT2A
SCHEMBL14800659 0.79 GRM5 (0.46) ROCK1GRM5SYKLMNAMAPT
SCHEMBL14818909 0.77 GRM5 (0.42) GRM5ALKBH1LMNAMRGPRX4MAPT
SCHEMBL14800409 0.76 AURKA (0.43) ROCK1GRM5SYKLMNAMAPT
SCHEMBL14800898 0.74 LCK (0.47) SYKLMNAMRGPRX4MAPTMEN1
SCHEMBL14800896 0.74 LCK (0.47) SYKLMNAMRGPRX4MAPTMEN1
SCHEMBL14800933 0.73 SYK (0.46) ROCK1GRM5SYKLMNAMAPT
SCHEMBL14800906 0.73 ENPP2 (0.45) GRM5SYK
SCHEMBL14800965 0.72 GSK3A (0.39) GRM5ALKBH1SYKLMNAMRGPRX4

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 ROCK1 4322/4885GRM5 20/4885ALKBH1 4875/4885

“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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