SCHEMBL766847

SCHEMBL766847

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
AKR1C3 P42330 3/20 0.45
USP2 O75604 1/20 0.44
RBP4 P02753 1/20 0.44
CLK1 P49759 1/20 0.43
TSHR P16473 4/20 0.43
LMNA P02545 2/20 0.43
MAPK1 P28482 2/20 0.43
AVPR1A P37288 2/20 0.42
MAPT P10636 1/20 0.42
TP53 P04637 1/20 0.42
ALOX15 P16050 1/20 0.42
GRM5 P41594 2/20 0.41
MYC P01106 1/20 0.40
NR4A1 P22736 1/20 0.40
HTT P42858 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL766675 0.85 HTT (0.48) ALDH1A1MEN1KMT2ARBP4TSHR
SCHEMBL10274716 0.84 PKM (0.52) ALDH1A1MEN1KMT2AAKR1C3USP2
SCHEMBL767144 0.77 CLK1 (0.41) ALDH1A1MEN1KMT2AAKR1C3CLK1
SCHEMBL766123 0.77 RBP4 (0.66) ALDH1A1MEN1KMT2AAKR1C3USP2
SCHEMBL30227034 0.77 RBP4 (0.66) ALDH1A1MEN1KMT2AAKR1C3USP2
SCHEMBL766926 0.74 ENPP2 (0.43) ALDH1A1MEN1KMT2AUSP2LMNA
SCHEMBL1481336 0.73 POLB (0.58) ALDH1A1MEN1KMT2AUSP2TSHR
SCHEMBL11129384 0.71 MEN1 (0.62) ALDH1A1MEN1KMT2ATSHRLMNA
SCHEMBL766210 0.71 RBP4 (0.61) ALDH1A1MEN1KMT2ARBP4TSHR
SCHEMBL111215 0.71 MEN1 (0.53) ALDH1A1MEN1KMT2AUSP2LMNA

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 ALDH1A1 784/4885MEN1 3929/4885KMT2A 802/4885

“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.