SCHEMBL14816294

SCHEMBL14816294

O=c1ccc2cc(OCc3cc(NCc4ccc(OC(F)F)cc4)no3)ccc2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.40
▸ ALOX5 P09917 1/20 0.37
▸ PDE3B Q13370 1/20 0.36
▸ PDE3A Q14432 1/20 0.36
▸ ACHE P22303 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ MAPT P10636 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ LMNA P02545 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ PPARG P37231 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ PTGER4 P35408 1/20 0.34
▸ PTGES O14684 1/20 0.34
▸ PLAT P00750 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ ADRB2 P07550 1/20 0.33
▸ KCNH2 Q12809 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
SCHEMBL15671743 0.84 MAOB (0.37) TP53ALOX5PDE3BPDE3AACHE
SCHEMBL14837807 0.83 MAOA (0.37) TP53ALOX5PDE3BPDE3AMAOB
SCHEMBL14800873 0.73 POLB (0.48) TP53ALOX5PDE3BPDE3AACHE
SCHEMBL14800083 0.69 MAOB (0.44) TP53ALOX5PDE3BPDE3AACHE
Trifluoroacetic Acid SCHEMBL14800737 0.69 POLB (0.42) TP53ALOX5PDE3BPDE3AACHE
SCHEMBL14827515 0.68 CDC7 (0.45) TP53PDE3BPDE3AACHEMAOB
SCHEMBL14800729 0.67 GRM5 (0.41) TP53PDE3BPDE3AMAPTLMNA
SCHEMBL14846414 0.66 MAOB (0.53) TP53ALOX5PDE3BPDE3AACHE
SCHEMBL14818908 0.66 F11 (0.58) PDE3BPDE3AACHEMAOBPOLB
SCHEMBL31722407 0.66 MAOB (0.57) PDE3BPDE3AACHEMAOB

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-2760856-B1 SELECTIVE NR2B ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2016-09-14 — — EP disclosed
EP-2760856-B1 SELECTIVE NR2B ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2016-09-14 — — EP disclosed
EP-2760856-A1 SELECTIVE NR2B ANTAGONISTS Bristol-Myers Squibb Company (US) 2014-08-06 — — EP disclosed
US-8722670-B2 Selective NR2B antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-13 — — US disclosed
US-8722670-B2 Selective NR2B antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-13 — — US disclosed
US-8722670-B2 Selective NR2B antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-13 — — US disclosed
US-20130085138-A1 Selective NR2B Antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 — — US disclosed
WO-2013049119-A1 SELECTIVE NR2B ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 — — WO disclosed
US-20130085138-A1 Selective NR2B Antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 — — US disclosed
WO-2013049119-A1 SELECTIVE NR2B ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 — — WO disclosed
US-20130085138-A1 Selective NR2B Antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 — — 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-20130085138-A1 Selective NR2B Antagonists GRIN2B, GRIN2A, GRIN3A TP53 4722/4885ALOX5 2458/4885PDE3B 2558/4885

“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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