SCHEMBL19400673

SCHEMBL19400673

CCNCC1CCCN1C(C)C

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.36
CHRM3 P20309 1/20 0.34
GLP1R P43220 10/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
HTT P42858 1/20 0.33
TSHR P16473 1/20 0.33
ALDH1A1 P00352 1/20 0.31
KCNH2 Q12809 1/20 0.31
SMO Q99835 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
DPP4 P27487 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
SCHEMBL19400676 1.00 L3MBTL1 (0.36) L3MBTL1CHRM3GLP1RCYP3A4CYP2D6
SCHEMBL14193971 0.81 CHRM3 (0.36) L3MBTL1CHRM3GLP1RCYP3A4CYP2D6
SCHEMBL2000106 0.81 CHRM3 (0.36) L3MBTL1CHRM3GLP1RCYP3A4CYP2D6
SCHEMBL27323692 0.81 CHRM3 (0.36) L3MBTL1CHRM3GLP1RCYP3A4CYP2D6
SCHEMBL58010 0.78 CHRM3 (0.35) L3MBTL1CHRM3HTT
SCHEMBL463540 0.78 CHRM3 (0.35) L3MBTL1CHRM3HTT
SCHEMBL11997996 0.78 CHRM3 (0.35) L3MBTL1CHRM3HTT
SCHEMBL14509706 0.76 SMN1; SMN2 (0.35)
SCHEMBL26997769 0.76 CHRM3 (0.37) L3MBTL1CHRM3GLP1RCYP3A4CYP2D6
SCHEMBL26209173 0.76 ITGB3 (0.41) L3MBTL1CHRM3GLP1RCYP3A4CYP2D6

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-20170275249-A1 SMALL LIPOPEPTIDOMIMETIC INHIBITORS OF GHRELIN O-ACYL TRANSFERASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2017-09-28 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-20170275249-A1 SMALL LIPOPEPTIDOMIMETIC INHIBITORS OF GHRELIN O-ACYL TRANSFERASE LIPE, MBOAT4, GHSR L3MBTL1 243/4885CHRM3 3857/4885GLP1R 80/4885

“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.