SCHEMBL2767722

SCHEMBL2767722

O=C(Cl)c1ccc(-c2cccc(F)c2)nc1

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 2/20 0.74
▸ LDHA P00338 3/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ RXFP1 Q9HBX9 1/20 0.49
▸ FYN P06241 1/20 0.48
▸ KMO O15229 2/20 0.48
▸ IDO1 P14902 1/20 0.46
▸ CHEK2 O96017 1/20 0.45
▸ WNT3A P56704 3/20 0.45
▸ MLNR O43193 3/20 0.45
▸ HSD17B1 P14061 1/20 0.44
▸ HSD17B2 P37059 1/20 0.44
▸ BAZ2B Q9UIF8 1/20 0.43
▸ CYP11B1 P15538 1/20 0.43

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
SCHEMBL1543156 0.86 HPGDS (0.76) HPGDSLDHANPC1RXFP1FYN
6-Chloronicotinic Acid SCHEMBL4390432 0.85 HPGDS (0.65) HPGDSLDHANPC1RXFP1FYN
SCHEMBL3228746 0.83 HPGDS (0.54) HPGDSNPC1KMOIDO1CHEK2
SCHEMBL2551371 0.80 LDHA (0.73) HPGDSLDHANPC1RXFP1BAZ2B
SCHEMBL5592596 0.79 HPGDS (0.48) HPGDSLDHANPC1FYNWNT3A
SCHEMBL4391270 0.79 HPGDS (0.65) HPGDSLDHANPC1RXFP1FYN
SCHEMBL31212328 0.78 HPGDS (0.50) HPGDSFYNKMOIDO1
SCHEMBL25982803 0.78 HPGDS (0.50) HPGDSFYNKMOIDO1
SCHEMBL2009526 0.78 HPGDS (0.64) HPGDSLDHANPC1WNT3A
SCHEMBL16495371 0.78 PTPN1 (0.67) HPGDSWNT3A

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
US-8853218-B2 Compounds GLAXO GROUP LIMITED (GB) 2014-10-07 — — US disclosed
CN-101511791-B Piperazinyl derivatives useful in the treatment of GPR38 receptor mediated diseases GLAXO GROUP LTD 2012-06-20 — — CN disclosed
EP-2041093-B1 PIPERAZINYL DERIVATIVES USEFUL IN THE TREATMENT OF GPR38 RECEPTOR MEDIATED DISEASES GLAXO GROUP LTD (GB) 2010-04-21 — — EP disclosed
US-7700599-B2 G protein coupled receptor inhibitors (Gpr38) such as 6-[(4-fluorophenyl)oxy]-N-methyl-N-(4-{[(3S)-3-methyl-1-piperazinyl]methyl}phenyl)-3-pyridinecarboxamide for treatment of gastric stasis in an enterally fed patient GLAXO GROUP LIMITED (GB) 2010-04-20 — — US disclosed
CN-101511791-A Piperazinyl derivatives useful in the treatment of GPR38 receptor mediated diseases GLAXO GROUP LTD (GB) 2009-08-19 — — CN disclosed
US-20090192160-A1 COMPOUNDS GLAXO GROUP LIMITED 2009-07-30 — — US disclosed
EP-2041093-A1 PIPERAZINYL DERIVATIVES USEFUL IN THE TREATMENT OF GPR38 RECEPTOR MEDIATED DISEASES Glaxo Group Limited (GB) 2009-04-01 — — EP disclosed
US-20080027065-A1 G protein coupled receptor inhibitors (Gpr38) such as 6-[(4-fluorophenyl)oxy]-N-methyl-N-(4-{[(3S)-3-methyl-1-piperazinyl]methyl}phenyl)-3-pyridinecarboxamide for treatment of gastric stasis in an enterally fed patient GLAXO GROUP LIMITED (GB) 2008-01-31 — — US disclosed
WO-2008000729-A1 PIPERAZINYL DERIVATIVES USEFUL IN THE TREATMENT OF GPR38 RECEPTOR MEDIATED DISEASES GLAXO GROUP LIMITED (GB) 2008-01-03 — — WO 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 (2 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-20080027065-A1 G protein coupled receptor inhibitors (Gpr38) such as 6-[(4-fluorophenyl)oxy]-N-methyl-N-(4-{[(3S)-3-methyl-1-piperazinyl]methyl}phenyl)-3-pyridinecarboxamide for treatment of gastric stasis in an enterally fed patient GPR68, GPR88, GPR3 HPGDS 1134/4885LDHA 4510/4885NPC1 2662/4885
US-20090192160-A1 COMPOUNDS GPR68, GPR88, GPBAR1 HPGDS 934/4885LDHA 2398/4885NPC1 147/4885

“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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