SCHEMBL2861074

SCHEMBL2861074

CCCCC(CC)CC1(N)CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
TDP1 Q9NUW8 2/20 0.45
SLC6A4 P31645 3/20 0.42
SLC6A3 Q01959 3/20 0.42
CYP2D6 P10635 2/20 0.42
CHRM2 P08172 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
CHRM1 P11229 1/20 0.42
SLC6A2 P23975 1/20 0.42
OPRM1 P35372 1/20 0.42
DRD3 P35462 1/20 0.42
KCNH2 Q12809 1/20 0.42
CYP3A4 P08684 5/20 0.39
TSHR P16473 3/20 0.39
CA2 P00918 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CA1 P00915 1/20 0.33
ATM Q13315 1/20 0.32

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
SCHEMBL9974585 0.84 CETP (0.33) SLC6A4SLC6A3
SCHEMBL364922 0.81 ALDH1A1 (0.43) ALDH1A1TDP1SLC6A4SLC6A3CYP2D6
SCHEMBL24218212 0.79 ALDH1A1 (0.47) ALDH1A1TDP1SLC6A4SLC6A3CYP2D6
SCHEMBL574963 0.79 ALDH1A1 (0.45) ALDH1A1TDP1SLC6A4SLC6A3CYP2D6
SCHEMBL28167562 0.77 ALDH1A1 (0.34) ALDH1A1TDP1SLC6A4SLC6A3CYP2D6
SCHEMBL13730264 0.76 CYP3A4 (0.32) ALDH1A1TDP1CYP3A4
SCHEMBL21244362 0.76 ALDH1A1 (0.39) ALDH1A1TDP1SLC6A4SLC6A3CYP2D6
SCHEMBL18595270 0.75 LMNA (0.45) ALDH1A1TDP1SLC6A4SLC6A3CYP2D6
SCHEMBL2422013 0.75 ALDH1A1 (0.45) ALDH1A1TDP1SLC6A4SLC6A3CYP2D6
SCHEMBL30419897 0.74 ALDH1A1 (0.41) ALDH1A1TDP1SLC6A4SLC6A3CYP2D6

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7696380-B2 Such as 1,2,3-propanetricarboxylic acid tris(trans-2-methylcycloheylamide; nucleation NEW JAPAN CHEMICAL CO., LTD. (JP) 2010-04-13 US disclosed
US-20070066687-A1 Amide-based compound, polyolefin resin composition and molded product NEW JAPAN CHEMICAL CO., LTD. (JP) 2007-03-22 US disclosed
EP-1674447-A1 AMIDES, POLYOLEFIN RESIN COMPOSITIONS, AND MOLDINGS NEW JAPAN CHEMICAL CO.,LTD. (JP) 2006-06-28 EP 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-20070066687-A1 Amide-based compound, polyolefin resin composition and molded product NAA50, ARG1, RFT1 ALDH1A1 2222/4885TDP1 2761/4885SLC6A4 4146/4885

“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.