SCHEMBL168541

SCHEMBL168541

CCC(=O)N1CCc2nc(OC3CCN(C4CCC4)CC3C#N)sc2C1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 14/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
UCHL1 P09936 2/20 0.35
MAPK14 Q16539 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
PARK7 Q99497 1/20 0.35
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KCNH2 Q12809 1/20 0.32
KDM2B Q8NHM5 1/20 0.31

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
SCHEMBL15738137 0.87 NPC1 (0.45) GRM5NPC1RAB9AUCHL1MAPK14
SCHEMBL175341 0.86 NPC1 (0.44) GRM5NPC1RAB9AUCHL1MAPK14
SCHEMBL15738855 0.84 NPC1 (0.48) GRM5NPC1RAB9A
SCHEMBL164792 0.84 NPC1 (0.48) GRM5NPC1RAB9AUCHL1MAPK14
SCHEMBL12474148 0.82 NPC1 (0.46) GRM5NPC1RAB9AKCNH2
SCHEMBL175170 0.80 NPC1 (0.39) GRM5NPC1RAB9A
SCHEMBL166290 0.80 NPC1 (0.43) GRM5NPC1RAB9A
Cadaverine Tartrate SCHEMBL165886 0.79 NPC1 (0.46) GRM5NPC1RAB9ADPP4DPP8
SCHEMBL166685 0.78 NPC1 (0.37) GRM5NPC1RAB9A
SCHEMBL168095 0.76 NPC1 (0.38) GRM5NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2611444-B1 HETEROCYCLYL COMPOUNDS AS HISTAMINE H3 RECEPTOR LIGANDS SUVEN LIFE SCIENCES LTD (IN) 2015-10-14 EP claimed
US-8912179-B2 Heterocyclyl compounds as histamine H3 receptor ligands SUVEN LIFE SCIENCES LIMITED (IN) 2014-12-16 US claimed
US-20140148440-A1 HETEROCYCLYL COMPOUNDS AS HISTAMINE H3 RECEPTOR LIGANDS SUVEN LIFE SCIENCES LIMITED (IN) 2014-05-29 US claimed
EP-2611444-A1 HETEROCYCLYL COMPOUNDS AS HISTAMINE H3 RECEPTOR LIGANDS Suven Life Sciences Limited (IN) 2013-07-10 EP claimed
WO-2012029070-A1 HETEROCYCLYL COMPOUNDS AS HISTAMINE H3 RECEPTOR LIGANDS SUVEN LIFE SCIENCES LIMITED (IN) 2012-03-08 WO claimed
EP-2611444-B1 HETEROCYCLYL COMPOUNDS AS HISTAMINE H3 RECEPTOR LIGANDS SUVEN LIFE SCIENCES LTD (IN) 2015-10-14 EP disclosed
US-8912179-B2 Heterocyclyl compounds as histamine H3 receptor ligands SUVEN LIFE SCIENCES LIMITED (IN) 2014-12-16 US disclosed
US-20140148440-A1 HETEROCYCLYL COMPOUNDS AS HISTAMINE H3 RECEPTOR LIGANDS SUVEN LIFE SCIENCES LIMITED (IN) 2014-05-29 US disclosed
EP-2611444-A1 HETEROCYCLYL COMPOUNDS AS HISTAMINE H3 RECEPTOR LIGANDS Suven Life Sciences Limited (IN) 2013-07-10 EP disclosed
WO-2012029070-A1 HETEROCYCLYL COMPOUNDS AS HISTAMINE H3 RECEPTOR LIGANDS SUVEN LIFE SCIENCES LIMITED (IN) 2012-03-08 WO 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-20140148440-A1 HETEROCYCLYL COMPOUNDS AS HISTAMINE H3 RECEPTOR LIGANDS HRH3, HRH4, HRH1 GRM5 171/4885NPC1 1118/4885RAB9A 1485/4885

“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.