SCHEMBL4031890

SCHEMBL4031890

Cc1sc(-c2ccccc2)nc1COc1ccc(C#N)cn1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 4/20 0.56
OPRM1 P35372 1/20 0.41
HRH3 Q9Y5N1 7/20 0.41
EGLN1 Q9GZT9 1/20 0.39
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA3 P34903 1/20 0.38
CD274 Q9NZQ7 1/20 0.37
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
ATP4A P20648 1/20 0.37
ATP4B P51164 1/20 0.37

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
SCHEMBL5372267 0.81 CD274 (0.41) GABRA5HRH3CD274
SCHEMBL4038147 0.81 CD274 (0.45) HRH3CD274
SCHEMBL4035340 0.80 KDM4E (0.41) GABRA5HRH3CD274PPARGPPARA
SCHEMBL1221481 0.75 MAOB (0.62) GABRA5OPRM1GABRG2GABRB3GABRA3
SCHEMBL2931461 0.72 GABRA5 (1.00) GABRA5
SCHEMBL7025168 0.72 MAOB (0.45) HRH3PPARGPPARAATP4AATP4B
SCHEMBL4038470 0.72 CFD (0.44) CD274
SCHEMBL4035370 0.72 FFAR1 (0.48) HRH3PPARGPPARAATP4AATP4B
SCHEMBL1731239 0.72 FFAR1 (0.46) HRH3PPARGPPARAATP4AATP4B
SCHEMBL4034640 0.71 HRH3 (0.43) GABRA5HRH3GABRG2GABRB3GABRA3

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-1357115-B1 ALKANOIC ACID DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2009-06-17 EP disclosed
US-7238716-B2 Alkanoic acid derivatives process for their production and use thereof TAKEDA PHARMACEUTICALS COMPANY LIMITED (JP) 2007-07-03 US disclosed
US-20040058965-A1 Alkanoic acid derivatives process for their production and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-25 US disclosed
EP-1357115-A1 ALKANOIC ACID DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2003-10-29 EP 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-20040058965-A1 Alkanoic acid derivatives process for their production and use thereof GPR119, ACOX1, ALK GABRA5 969/4885OPRM1 1923/4885HRH3 442/4885

“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.