SCHEMBL20133728

SCHEMBL20133728

CCCC(NC(CC)C(=O)CC)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 1/20 0.43
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
AOC3 Q16853 1/20 0.40
ASPH Q12797 1/20 0.39
KDM8 Q8N371 1/20 0.39
MME P08473 1/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GPR88 Q9GZN0 1/20 0.39
RPS6KB1 P23443 1/20 0.39
NPC1 O15118 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
SCHEMBL11638197 0.78 AOC3 (0.48) TACR3KDM4EALDH1A1LMNAHPGD
SCHEMBL5850168 0.75 KMT2A (0.48) TACR3MAPTHTTAOC3MME
SCHEMBL15093362 0.74 TACR3 (0.51) TACR3KDM4EALDH1A1LMNAHPGD
SCHEMBL574487 0.74 TACR3 (0.51) TACR3KDM4EALDH1A1LMNAHPGD
SCHEMBL9272437 0.73 AOC3 (0.44) TACR3ALDH1A1LMNAMAPTHTT
SCHEMBL184883 0.72 KMT2A (0.50) TACR3KDM4EALDH1A1LMNAHPGD
SCHEMBL14277942 0.72 KMT2A (0.50) TACR3KDM4EALDH1A1LMNAHPGD
SCHEMBL29149060 0.72 CYP1A2 (0.48) ALDH1A1LMNAHSD17B10AOC3CYP1A2
SCHEMBL1955325 0.71 LMNA (0.50) TACR3KDM4EALDH1A1LMNAHPGD
SCHEMBL2830414 0.71 TACR3 (0.49) TACR3KDM4EALDH1A1LMNAHPGD

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-20180127370-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. 2018-05-10 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-20180127370-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF MTOR, RICTOR, RPTOR TACR3 3240/4885KDM4E 253/4885ALDH1A1 3942/4885

“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.