SCHEMBL14800904

SCHEMBL14800904

FC(F)(F)Oc1ccc(Nc2ncc(CCl)cn2)cc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 2/20 0.54
▸ KCNH2 Q12809 1/20 0.51
▸ SCN5A Q14524 1/20 0.51
▸ SCN9A Q15858 1/20 0.51
▸ ABL1 P00519 7/20 0.46
▸ BCR P11274 7/20 0.46
▸ CHRNA7 P36544 7/20 0.46
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ TDO2 P48775 1/20 0.44
▸ SYK P43405 1/20 0.44

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
SCHEMBL4655004 0.87 CTSC (0.52) CTSCKCNH2SCN5ASCN9AABL1
SCHEMBL20267818 0.80 CTSC (0.54) CTSCKCNH2SCN5ASCN9AABL1
SCHEMBL14800659 0.79 GRM5 (0.46) SYK
SCHEMBL24866863 0.77 TDO2 (0.53) CTSCKCNH2SCN5ASCN9AABL1
SCHEMBL14801200 0.76 HDAC3 (0.53) KCNH2SCN5ASCN9A
Hydrochloric Acid SCHEMBL14800138 0.74 HDAC3 (0.51) KCNH2SCN5ASCN9A
SCHEMBL28396861 0.74 NPC1 (0.51) CTSCKCNH2SCN5ASCN9AABL1
SCHEMBL14965803 0.74 MEN1 (0.64) ABL1NPC1RAB9AL3MBTL1
SCHEMBL3452125 0.74 CHRNA7 (0.59) CTSCKCNH2SCN5ASCN9ACHRNA7
SCHEMBL30568377 0.73 SCN9A (0.61) CTSCKCNH2SCN5ASCN9AABL1

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 5 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
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
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 CTSC 3798/4885KCNH2 923/4885SCN5A 164/4885

“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.

Send feedback