SCHEMBL767646

SCHEMBL767646

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 1/20 0.41
ENPP2 Q13822 2/20 0.40
PTGS2 P35354 1/20 0.40
LMNA P02545 3/20 0.39
MAPK1 P28482 1/20 0.39
HRH3 Q9Y5N1 3/20 0.39
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
MAPT P10636 2/20 0.38
HTT P42858 2/20 0.38
POLB P06746 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
KMT2A Q03164 1/20 0.38
STAT3 P40763 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GRM5 P41594 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
SCHEMBL766926 0.91 ENPP2 (0.43) DRD3ENPP2LMNAMAPK1HRH3
SCHEMBL630510 0.85 DRD3 (0.42) DRD3PTGS2LMNAMAPK1HRH3
SCHEMBL767144 0.82 CLK1 (0.41) LMNAMAPK1ALDH1A1KDM4ECYP1A2
SCHEMBL766220 0.76 RBP4 (0.44) DRD3ENPP2LMNAMAPK1HRH3
SCHEMBL766847 0.70 ALDH1A1 (0.50) LMNAMAPK1ALDH1A1MAPTHTT
SCHEMBL10274716 0.69 PKM (0.52) MAPK1ALDH1A1KDM4EMAPTHTT
SCHEMBL766295 0.67 HRH3 (0.43) DRD3LMNAMAPK1HRH3MEN1
SCHEMBL766238 0.67 ME2 (0.44) LMNAMAPK1HRH3MAPTMEN1
SCHEMBL19796297 0.63 NPC1 (0.57) PTGS2LMNAALDH1A1MAPTMEN1
SCHEMBL5120243 0.63 PTGS2 (0.81) PTGS2LMNAALDH1A1KDM4ECYP1A2

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 DRD3 3237/4885ENPP2 537/4885PTGS2 3118/4885

“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.