SCHEMBL3512075

SCHEMBL3512075

CC(=O)OCc1cnc(N)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
GABRP O00591 4/20 0.34
GABRD O14764 4/20 0.34
GABRA1 P14867 4/20 0.34
GABRB1 P18505 4/20 0.34
GABRG2 P18507 4/20 0.34
GABRB3 P28472 4/20 0.34
GABRA5 P31644 4/20 0.34
GABRA3 P34903 4/20 0.34
GABRA2 P47869 4/20 0.34
GABRB2 P47870 4/20 0.34
GABRA4 P48169 4/20 0.34
GABRE P78334 4/20 0.34
GABRA6 Q16445 4/20 0.34
GABRG1 Q8N1C3 4/20 0.34
GABRG3 Q99928 4/20 0.34
GABRQ Q9UN88 4/20 0.34
HSD17B10 Q99714 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 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
Trifluoroacetic Acid SCHEMBL9895869 0.89 ALDH1A1 (0.36) ALDH1A1GABRPGABRDGABRA1GABRB1
SCHEMBL13140958 0.84 ALDH1A1 (0.40) ALDH1A1HSD17B10CYP1A2CYP2C19CYP3A4
Hydrochloric Acid SCHEMBL2938984 0.82 ALDH1A1 (0.39) ALDH1A1HSD17B10CYP1A2CYP2C19CYP3A4
SCHEMBL2933128 0.81 ALDH1A1 (0.41) ALDH1A1HSD17B10CYP1A2CYP2C19CYP3A4
SCHEMBL11398940 0.81 NPC1 (0.42) ALDH1A1GABRPGABRDGABRA1GABRB1
SCHEMBL14420953 0.80 POLB (0.46) ALDH1A1HSD17B10RXFP1KMT2ACYP3A4
SCHEMBL24027230 0.79 ALDH1A1 (0.43) ALDH1A1GABRPGABRDGABRA1GABRB1
SCHEMBL30155004 0.79 ALDH1A1 (0.43) ALDH1A1GABRPGABRDGABRA1GABRB1
SCHEMBL11397006 0.78 THRB (0.37) ALDH1A1GABRPGABRDGABRA1GABRB1
SCHEMBL11386635 0.77 ALDH1A1 (0.42) ALDH1A1CYP1A2CYP2C19CYP3A4SMN1; SMN2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130102617-A1 METHOD OF TREATING DIABETES, METABOLIC SYNDROME AND OBESITY USING PHENYLACETAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2013-04-25 US disclosed
US-20130102617-A1 METHOD OF TREATING DIABETES, METABOLIC SYNDROME AND OBESITY USING PHENYLACETAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2013-04-25 US disclosed
US-20130102617-A1 METHOD OF TREATING DIABETES, METABOLIC SYNDROME AND OBESITY USING PHENYLACETAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2013-04-25 US disclosed
US-8329707-B2 Substituted pyrazine compounds ASTELLAS PHARMA INC. (JP) 2012-12-11 US disclosed
US-8329707-B2 Substituted pyrazine compounds ASTELLAS PHARMA INC. (JP) 2012-12-11 US disclosed
US-8329707-B2 Substituted pyrazine compounds ASTELLAS PHARMA INC. (JP) 2012-12-11 US disclosed
US-20120149718-A1 Amido Compounds BROTHERTON-PLEISS CHRISTINE E (US) 2012-06-14 US disclosed
US-20100286171-A1 PHENYLACETAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-11-11 US disclosed
US-20100286171-A1 PHENYLACETAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-11-11 US disclosed
EP-2236498-A1 PHENYL ACETAMIDE DERIVATIVE Astellas Pharma Inc. (JP) 2010-10-06 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 (3 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-20100286171-A1 PHENYLACETAMIDE DERIVATIVE AADAC, PGC, PC ALDH1A1 2061/4885GABRP 1225/4885GABRD 1819/4885
US-20130102617-A1 METHOD OF TREATING DIABETES, METABOLIC SYNDROME AND OBESITY USING PHENYLACETAMIDE DERIVATIVE PC, PCK2, GCKR ALDH1A1 1865/4885GABRP 2103/4885GABRD 2908/4885
US-20120149718-A1 Amido Compounds P2RX7, P2RX3, P2RX2 ALDH1A1 2230/4885GABRP 184/4885GABRD 708/4885

“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.