SCHEMBL14800906

SCHEMBL14800906

O=c1[nH]c2ccc(OCc3cnc(Nc4ccc(OC(F)F)cc4)nc3)cc2o1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 1/20 0.45
▸ MAOA P21397 9/20 0.41
▸ MAOB P27338 9/20 0.41
▸ ACHE P22303 2/20 0.41
▸ GRM5 P41594 1/20 0.41
▸ TSHR P16473 1/20 0.40
▸ JAK1 P23458 4/20 0.39
▸ JAK3 P52333 4/20 0.39
▸ JAK2 O60674 3/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ SYK P43405 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
SCHEMBL14801382 0.77 TNIK (0.42) GRM5
SCHEMBL14800724 0.73 ROCK1 (0.48) GRM5SYK
SCHEMBL14818895 0.73 TNIK (0.40) GRM5
SCHEMBL341883 0.72 JAK1 (0.72) JAK1JAK3JAK2CYP3A4SYK
SCHEMBL3910083 0.71 MAOB (0.71) MAOAMAOBACHE
SCHEMBL14800659 0.70 GRM5 (0.46) GRM5SYK
Carbamic Acid SCHEMBL14800970 0.69 ALKBH1 (0.44) GRM5
SCHEMBL1736665 0.69 JAK1 (0.52) TSHRJAK1JAK3JAK2CYP3A4
SCHEMBL14800729 0.69 GRM5 (0.41) GRM5JAK1JAK3JAK2CYP3A4
SCHEMBL14800596 0.67 F11 (0.45) MAOAMAOBACHE

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 7 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
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 ENPP2 469/4885MAOA 556/4885MAOB 470/4885

“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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