SCHEMBL766675

SCHEMBL766675

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

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.48
POLB P06746 1/20 0.48
ALDH1A1 P00352 4/20 0.45
RBP4 P02753 1/20 0.45
LMNA P02545 6/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
MAPT P10636 2/20 0.44
TSHR P16473 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 1/20 0.44
AR P10275 1/20 0.39
SLC6A9 P48067 1/20 0.38
SLC6A5 Q9Y345 1/20 0.38
NOTUM Q6P988 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
SCHEMBL766847 0.85 ALDH1A1 (0.50) HTTALDH1A1RBP4LMNAMEN1
SCHEMBL766986 0.85 PKM (0.54) HTTPOLBALDH1A1LMNAMEN1
SCHEMBL10274315 0.84 RBP4 (0.51) HTTPOLBALDH1A1RBP4LMNA
SCHEMBL10274550 0.79 KMT2A (0.49) HTTALDH1A1LMNAMEN1KMT2A
SCHEMBL20149901 0.76 ALDH1A1 (0.43) POLBALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL766137 0.76 RBP4 (0.68) HTTPOLBALDH1A1RBP4LMNA
SCHEMBL767276 0.74 PKM (0.53) HTTALDH1A1LMNAMEN1KMT2A
SCHEMBL10274318 0.73 ADAMTS5 (0.44) HTTMEN1KMT2AMAPTTSHR
SCHEMBL10274716 0.73 PKM (0.52) HTTALDH1A1MEN1KMT2AMAPT
SCHEMBL766210 0.72 RBP4 (0.61) ALDH1A1RBP4LMNAMEN1KMT2A

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 HTT 2237/4885POLB 4135/4885ALDH1A1 784/4885

“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.