SCHEMBL14800596

SCHEMBL14800596

O=c1ccc2cc(OCc3cnc(Nc4ccc(Cl)cc4)nc3)ccc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F11 P03951 1/20 0.45
▸ KCNH2 Q12809 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ PDE3B Q13370 1/20 0.41
▸ PDE3A Q14432 1/20 0.41
▸ MAOB P27338 3/20 0.41
▸ ACHE P22303 1/20 0.39
▸ MAOA P21397 1/20 0.38
▸ FFAR1 O14842 1/20 0.38
▸ CNR1 P21554 3/20 0.38
▸ TP53 P04637 1/20 0.37
▸ EIF2AK2 P19525 1/20 0.37
▸ HDAC3 O15379 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ EGFR P00533 1/20 0.37
▸ PDE10A Q9Y233 2/20 0.37
▸ PDGFRB P09619 1/20 0.36
▸ PDGFRA P16234 1/20 0.36

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
SCHEMBL14833175 0.96 KCNH2 (0.43) F11KCNH2POLBPDE3BPDE3A
SCHEMBL14800732 0.83 KCNH2 (0.44) F11KCNH2POLBFFAR1EIF2AK2
SCHEMBL14818908 0.83 F11 (0.58) F11KCNH2POLBPDE3BPDE3A
SCHEMBL14800873 0.79 POLB (0.48) F11KCNH2POLBPDE3BPDE3A
SCHEMBL14801098 0.78 TERT (0.47) F11KCNH2POLBPDE3BPDE3A
SCHEMBL14800567 0.74 AURKA (0.48) POLBMAOBMAOATP53HDAC3
Trifluoroacetic Acid SCHEMBL14800737 0.73 POLB (0.42) F11KCNH2POLBPDE3BPDE3A
SCHEMBL3373971 0.72 MAOB (0.65) PDE3BPDE3AMAOBACHEMAOA
SCHEMBL14800083 0.71 MAOB (0.44) POLBPDE3BPDE3AMAOBACHE
SCHEMBL14800870 0.71 KDR (0.37) F11KCNH2PDE3BPDE3AMAOB

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 F11 4658/4885KCNH2 923/4885POLB 2879/4885

“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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