SCHEMBL14818909

SCHEMBL14818909

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ncc(OCc2cnc(Nc3ccc(OC(F)F)cc3)nc2)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 1/20 0.42
▸ ALKBH1 Q13686 1/20 0.39
▸ MRGPRX4 Q96LA9 1/20 0.35
▸ GPR119 Q8TDV5 1/20 0.35
▸ P2RX3 P56373 2/20 0.35
▸ IRAK4 Q9NWZ3 1/20 0.34
▸ MAPT P10636 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ TEAD4 Q15561 1/20 0.34
▸ HDAC3 O15379 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ NPR3 P17342 2/20 0.34
▸ GSK3A P49840 2/20 0.34
▸ GSK3B P49841 2/20 0.34
▸ IDH1 O75874 1/20 0.34
▸ LMNA P02545 1/20 0.34

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
SCHEMBL14804144 0.87 HDAC3 (0.42) GRM5GPR119MAPTKMT2AMEN1
Carbamic Acid SCHEMBL14800970 0.77 ALKBH1 (0.44) GRM5ALKBH1MRGPRX4MAPTKMT2A
SCHEMBL14800724 0.77 ROCK1 (0.48) GRM5ALKBH1MRGPRX4MAPTKMT2A
SCHEMBL14804138 0.73 P4HTM (0.49) ALKBH1GPR119MAPTKMT2AMEN1
SCHEMBL14800659 0.69 GRM5 (0.46) GRM5P2RX3MAPTKMT2AMEN1
SCHEMBL14800409 0.69 AURKA (0.43) GRM5MAPTKMT2AMEN1ALDH1A1
SCHEMBL14800965 0.69 GSK3A (0.39) GRM5ALKBH1MRGPRX4P2RX3MAPT
SCHEMBL14801382 0.67 TNIK (0.42) GRM5ALKBH1MRGPRX4P2RX3ALDH1A1
SCHEMBL6059910 0.67 SSTR4 (0.34) GPR119ALDH1A1HDAC3HDAC1HDAC2
SCHEMBL6059163 0.66 SSTR4 (0.34) GPR119ALDH1A1HDAC3HDAC1HDAC2

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 4 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
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 GRM5 20/4885ALKBH1 4875/4885MRGPRX4 500/4885

“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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