SCHEMBL4373394

SCHEMBL4373394

CCOC(CC)=C(C#N)C(=O)c1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.43
OXTR P30559 2/20 0.41
AVPR1A P37288 2/20 0.41
GRIA2 P42262 1/20 0.40
GRIA4 P48058 1/20 0.40
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
GAA P10253 1/20 0.40
FFAR1 O14842 1/20 0.39
AKR1B1 P15121 1/20 0.39
MYC P01106 1/20 0.39
WDR5 P61964 1/20 0.39
PPARG P37231 3/20 0.38
PTPN5 P54829 1/20 0.38
NLRP3 Q96P20 1/20 0.38
GPR119 Q8TDV5 1/20 0.38
MAPK1 P28482 2/20 0.36
RAB9A P51151 2/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 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
SCHEMBL8288329 1.00 ESR2 (0.43) ESR2OXTRAVPR1AGRIA2GRIA4
SCHEMBL4373391 1.00 ESR2 (0.43) ESR2OXTRAVPR1AGRIA2GRIA4
SCHEMBL6064373 0.83 ALDH1A1 (0.41) ALDH1A1L3MBTL1GAANLRP3MAPK1
SCHEMBL4375893 0.77 HTT (0.48) ALDH1A1L3MBTL1GAAMAPK1LMNA
SCHEMBL4375895 0.77 HTT (0.48) ALDH1A1L3MBTL1GAAMAPK1LMNA
SCHEMBL6064376 0.76 ALDH1A1 (0.46) ALDH1A1L3MBTL1MAPK1LMNAMAPT
SCHEMBL1892549 0.71 MME (0.50) ESR2GRIA2GRIA4ALDH1A1L3MBTL1
SCHEMBL11439813 0.70 CES2 (0.45) ALDH1A1GAAMAPK1RAB9ALMNA
SCHEMBL11439809 0.70 CES2 (0.45) ALDH1A1GAAMAPK1RAB9ALMNA
SCHEMBL6165708 0.70 ESR2 (0.56) ESR2OXTRAVPR1AALDH1A1L3MBTL1

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
US-7625932-B2 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors ELI LILLY AND COMPANY (US) 2009-12-01 US disclosed
EP-1670757-B1 PYRROLE AND PYRAZOLE DERIVATIVES AS POTENTIATORS OF GLUTAMATE RECEPTORS LILLY CO ELI (US) 2009-05-06 EP disclosed
US-20070066573-A1 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors ELI LILLY AND COMPANY 2007-03-22 US disclosed
EP-1670757-A1 PYRROLE AND PYRAZOLE DERIVATIVES AS POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2006-06-21 EP disclosed
WO-2005040110-A1 PYRROLE AND PYRAZOLE DERIVATIVES AS POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2005-05-06 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 (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-20070066573-A1 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors GRIN1, GRIN3A, GRIK5 ESR2 706/4885OXTR 93/4885AVPR1A 219/4885

“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.