SCHEMBL5423693

SCHEMBL5423693

CC(=O)NCC1CCCC[N]1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FAP Q12884 2/20 0.34
FUCA1 P04066 1/20 0.34
DPP4 P27487 1/20 0.34
PREP P48147 1/20 0.34
CACNA1H O95180 1/20 0.34
EPHX1 P07099 2/20 0.33
MTNR1A P48039 4/20 0.33
MTNR1B P49286 3/20 0.33
GLA P06280 1/20 0.33
NPSR1 Q6W5P4 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MAPK1 P28482 1/20 0.30
HIF1A Q16665 1/20 0.30
ACACB O00763 1/20 0.30
ACACA Q13085 1/20 0.30
HTR2C P28335 1/20 0.30

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
SCHEMBL666257 0.94 FUCA1 (0.35) FAPFUCA1DPP4PREPCACNA1H
SCHEMBL718205 0.94 FUCA1 (0.35) FAPFUCA1DPP4PREPCACNA1H
SCHEMBL667364 0.94 FUCA1 (0.35) FAPFUCA1DPP4PREPCACNA1H
SCHEMBL2349446 0.74
SCHEMBL6039806 0.72 EPHX1 (0.32) EPHX1NPSR1SMN1; SMN2
SCHEMBL6050264 0.71 EPHX1 (0.39) EPHX1KDM4E
SCHEMBL3975417 0.71 EPHX1 (0.44) EPHX1NPSR1ACACBACACA
SCHEMBL5968680 0.71 EPHX1 (0.57) CACNA1HEPHX1
SCHEMBL3549456 0.70 EPHX2 (0.38) NPSR1SMN1; SMN2HSD17B10
SCHEMBL6050209 0.70 ALDH1A1 (0.32) HSD17B10

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-20070111981-A1 New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds ROTH GERALD J 2007-05-17 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-20070111981-A1 New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, GPR119, MCHR2 FAP 4011/4885FUCA1 3999/4885DPP4 922/4885

“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.