SCHEMBL4143475

SCHEMBL4143475

CNCCCCN(CC(COC)OC(=O)Nc1ccccc1)C(=O)NC(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.39
ALDH1A1 P00352 1/20 0.39
DRD4 P21917 1/20 0.37
SLC6A2 P23975 1/20 0.37
CCKAR P32238 1/20 0.37
OPRM1 P35372 1/20 0.37
DRD3 P35462 1/20 0.37
SCN1A P35498 1/20 0.37
OPRK1 P41145 1/20 0.37
HTR2B P41595 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KCNH2 Q12809 1/20 0.37
SCN2A Q99250 1/20 0.37
SCN3A Q9NY46 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC6 Q9UBN7 2/20 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
SCHEMBL4143468 1.00 LMNA (0.39) LMNAALDH1A1DRD4SLC6A2CCKAR
SCHEMBL4140574 0.91 LMNA (0.42) LMNAALDH1A1DRD4SLC6A2CCKAR
SCHEMBL4136566 0.89 LMNA (0.38) LMNAALDH1A1DRD4SLC6A2CCKAR
SCHEMBL4136559 0.89 LMNA (0.38) LMNAALDH1A1DRD4SLC6A2CCKAR
SCHEMBL13872435 0.87 LMNA (0.41) LMNAALDH1A1MAPT
SCHEMBL4129734 0.81 TRPV4 (0.39) PTGESMEN1KMT2ARAB9A
SCHEMBL4129723 0.81 TRPV4 (0.39) PTGESMEN1KMT2ARAB9A
SCHEMBL4135071 0.81 TRPV4 (0.39) PTGESMEN1KMT2ARAB9A
SCHEMBL4140333 0.81 HTT (0.40) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL13889917 0.81 LIPG (0.34) LMNAALDH1A1DRD4SLC6A2CCKAR

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-20090105259-A1 Acyclic 1,4-Diamines and Uses Thereof SMITHKLINE BEECHAM CORPORATION 2009-04-23 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-20090105259-A1 Acyclic 1,4-Diamines and Uses Thereof TRPV4, TRPC4, TRPV1 LMNA 3671/4885ALDH1A1 1565/4885DRD4 610/4885

“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.