SCHEMBL14800145

SCHEMBL14800145

O=c1ccc2cc(CCc3cnc(Nc4ccc(OC(F)F)c(Cl)c4)nc3)ccc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 9/20 0.41
▸ MAPT P10636 7/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ NFKB2 Q00653 1/20 0.38
▸ RELA Q04206 1/20 0.38
▸ MEN1 O00255 4/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ LMNA P02545 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ HTT P42858 3/20 0.38
▸ MAPK1 P28482 1/20 0.36
▸ TP53 P04637 1/20 0.35
▸ HTR1E P28566 1/20 0.35
▸ S1PR3 Q99500 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ ALOX12 P18054 1/20 0.35

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
SCHEMBL14800451 0.84 KDR (0.45) P2RX3MAPTSMN1; SMN2NPC1NFKB1
SCHEMBL14837781 0.80 P2RX3 (0.33) P2RX3
SCHEMBL14800491 0.74 P2RX3 (0.40) P2RX3
SCHEMBL14800943 0.72 RXRA (0.44) P2RX3BCL6
SCHEMBL14800734 0.71 MAPT (0.48) MAPTSMN1; SMN2NPC1NFKB1RAB9A
SCHEMBL14800596 0.69 F11 (0.45) MAPTLMNATP53F11
SCHEMBL14833175 0.66 KCNH2 (0.43) MAPTTP53F11
SCHEMBL340299 0.66 JAK1 (0.67) —
SCHEMBL8860929 0.64 F11 (0.51) MAPTMAPK1TP53F11
SCHEMBL14800729 0.64 GRM5 (0.41) MAPTSMN1; SMN2NPC1ALDH1A1LMNA

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 P2RX3 265/4885MAPT 1080/4885SMN1; SMN2 351/4885

“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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