SCHEMBL766926

SCHEMBL766926

C=C(C)c1cc(Cl)ccc1N1CCN(C(=O)c2ccc(OCC(=O)O)cn2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.43
HRH3 Q9Y5N1 4/20 0.40
DRD3 P35462 1/20 0.40
POLB P06746 1/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPK1 P28482 1/20 0.39
GRM5 P41594 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
USP2 O75604 1/20 0.37
DCTPP1 Q9H773 1/20 0.37
RXFP1 Q9HBX9 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
SCHEMBL767646 0.91 DRD3 (0.41) ENPP2HRH3DRD3POLBLMNA
SCHEMBL766220 0.85 RBP4 (0.44) ENPP2HRH3DRD3POLBLMNA
SCHEMBL767144 0.83 CLK1 (0.41) LMNAMAPTMEN1NPC1KMT2A
SCHEMBL630510 0.76 DRD3 (0.42) HRH3DRD3POLBLMNAMAPT
SCHEMBL766847 0.74 ALDH1A1 (0.50) LMNAMAPTHTTMEN1KMT2A
SCHEMBL766295 0.70 HRH3 (0.43) HRH3DRD3LMNAMEN1KMT2A
SCHEMBL10274716 0.70 PKM (0.52) MAPTHTTMEN1NPC1KMT2A
SCHEMBL766238 0.68 ME2 (0.44) HRH3LMNAMAPTMEN1KMT2A
SCHEMBL21987026 0.67 NPY2R (0.55) POLBLMNAMAPTHTTMAPK1
SCHEMBL21987092 0.66 KMT2A (0.62) LMNAMAPTHTTMEN1KMT2A

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 ENPP2 537/4885HRH3 3296/4885DRD3 3237/4885

“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.