SCHEMBL1406910

SCHEMBL1406910

CN1CCN(c2cc(C(O)C#Cc3ccc(C(=O)O)cc3)cc(C(C)(C)C)c2NCc2ccccc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 1/20 0.38
HTR6 P50406 2/20 0.36
AURKA O14965 2/20 0.36
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
SERPINE1 P05121 1/20 0.36
HRH4 Q9H3N8 8/20 0.36
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GRM5 P41594 1/20 0.35
HRH1 P35367 2/20 0.35
HRH2 P25021 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
HTR2A P28223 1/20 0.34
EPHX2 P34913 1/20 0.34
ACHE P22303 1/20 0.34
PDE5A O76074 1/20 0.33

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
SCHEMBL1406938 0.92 HTR6 (0.38) RBP4HTR6HRH4MEN1MAPK1
SCHEMBL1406675 0.88 HDAC3 (0.35) RBP4HRH4GRM5
SCHEMBL1406676 0.87 HDAC3 (0.37) RBP4MEN1KMT2AGRM5
SCHEMBL1406766 0.84 MAPK1 (0.43) RBP4HRH4MEN1MAPK1KMT2A
SCHEMBL1406937 0.84 RBP4 (0.38) RBP4HTR6MEN1MAPK1KMT2A
SCHEMBL1406748 0.82 RARA (0.40) RBP4HTR6AURKASERPINE1HRH4
SCHEMBL1406911 0.82 RARA (0.40) RBP4HTR6AURKASERPINE1HRH4
SCHEMBL1406741 0.79 RARB (0.42) EPHX2
SCHEMBL1406849 0.79 VCP (0.37) HSD17B10EPHX2
SCHEMBL1406674 0.78 RBP4 (0.35) RBP4HSD17B10GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1513793-B1 NOVEL LIGANDS THAT ARE INHIBITORS OF THE RAR RECEPTORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RES & DEV (FR) 2011-03-09 EP claimed
US-20050131033-A1 Novel ligand inhibitors of the RAR receptors, process for preparing same and therapeutic/cosmetic applications thereof GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2005-06-16 US claimed
EP-1513793-B1 NOVEL LIGANDS THAT ARE INHIBITORS OF THE RAR RECEPTORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RES & DEV (FR) 2011-03-09 EP disclosed
US-7468457-B2 Ligand inhibitors of the RAR receptors, process for preparing same and therapeutic/cosmetic applications thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2008-12-23 US disclosed
US-20050131033-A1 Novel ligand inhibitors of the RAR receptors, process for preparing same and therapeutic/cosmetic applications thereof GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2005-06-16 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-20050131033-A1 Novel ligand inhibitors of the RAR receptors, process for preparing same and therapeutic/cosmetic applications thereof RARA, RARB, RARG RBP4 40/4885HTR6 3788/4885AURKA 4433/4885

“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.