SCHEMBL766987

SCHEMBL766987

C=C(C)c1cc(C(C)C)ccc1N1CCN(C(=O)C(=O)OCC)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.53
L3MBTL1 Q9Y468 3/20 0.44
ALOX15 P16050 2/20 0.42
GAA P10253 2/20 0.42
ALOX12 P18054 1/20 0.42
MAPT P10636 9/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 3/20 0.39
HTT P42858 1/20 0.39
LMNA P02545 3/20 0.39
MAPK1 P28482 2/20 0.39
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 1/20 0.37
P2RY12 Q9H244 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
SCHEMBL766986 0.86 PKM (0.54) PKML3MBTL1ALOX15GAAALOX12
SCHEMBL767276 0.85 PKM (0.53) PKML3MBTL1ALOX15GAAMAPT
SCHEMBL10274716 0.84 PKM (0.52) PKML3MBTL1MAPTMEN1KMT2A
SCHEMBL630667 0.81 PKM (0.54) PKML3MBTL1ALOX15GAAALOX12
SCHEMBL631288 0.74 PKM (0.50) PKML3MBTL1ALOX15GAAMAPT
SCHEMBL10274550 0.72 KMT2A (0.49) L3MBTL1GAAALOX12MAPTMEN1
SCHEMBL766675 0.71 HTT (0.48) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL630912 0.69 PKM (0.55) PKML3MBTL1GAAALOX12MAPT
SCHEMBL18068240 0.68 TSHR (0.59) PKML3MBTL1GAAMAPTMEN1
SCHEMBL766847 0.68 ALDH1A1 (0.50) PKML3MBTL1ALOX15MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120071489-A1 DERIVATIVES OF N-ACYL-N'-PHENYLPIPERAZINE USEFUL (INTER ALIA) FOR THE PROPHYLAXIS OR TREATMENT OF DIABETES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-22 US 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-20120071489-A1 DERIVATIVES OF N-ACYL-N'-PHENYLPIPERAZINE USEFUL (INTER ALIA) FOR THE PROPHYLAXIS OR TREATMENT OF DIABETES RBP4, RBP1, FABP4 PKM 3988/4885L3MBTL1 642/4885ALOX15 416/4885

“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.