SCHEMBL3514036

SCHEMBL3514036

Nc1cnc(OCCOCc2ccccc2)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 5/20 0.44
ALOX5AP P20292 5/20 0.44
TSHR P16473 1/20 0.42
NCF1 P14598 3/20 0.40
NAAA Q02083 1/20 0.39
HRH4 Q9H3N8 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
MPO P05164 1/20 0.38
TPO P07202 1/20 0.38
CYP3A4 P08684 1/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38

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
SCHEMBL29007904 0.85 ALOX5AP (0.49) FEN1ALOX5APGABRPGABRDGABRA1
SCHEMBL2644832 0.81 HTR1A (0.44) FEN1ALOX5APMPOGAAMAPT
SCHEMBL3509640 0.78 P4HTM (0.51) TSHRMAOAMAOBSMN1; SMN2
SCHEMBL1974540 0.76 TSHR (0.44) TSHRNAAAHRH4HRH3MAPT
SCHEMBL27032571 0.76 NCF1 (0.39) TSHRNCF1NAAAHRH4HRH3
SCHEMBL12659903 0.75 TSHR (0.42) TSHRNAAAHRH4HRH3MAPT
SCHEMBL1927115 0.75 GABRA5 (0.44) TSHRNAAAHRH4HRH3GABRG2
SCHEMBL1024734 0.75 NCF1 (0.44) FEN1ALOX5APNCF1MAPTRAB9A
SCHEMBL3512263 0.75 CXCR2 (0.42) RAB9ASMN1; SMN2
SCHEMBL8279879 0.74 MAOB (0.44) TSHRNAAATAAR1MPOTPO

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-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
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 (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-20100286171-A1 PHENYLACETAMIDE DERIVATIVE AADAC, PGC, PC FEN1 4756/4885ALOX5AP 2300/4885TSHR 3200/4885
US-20130102617-A1 METHOD OF TREATING DIABETES, METABOLIC SYNDROME AND OBESITY USING PHENYLACETAMIDE DERIVATIVE PC, PCK2, GCKR FEN1 4775/4885ALOX5AP 1672/4885TSHR 3048/4885

“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.