SCHEMBL176847

SCHEMBL176847

CCC(=O)N1Cc2nc(OC3CCCN(C4CCC4)CC3)sc2C1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HRH3 Q9Y5N1 16/20 0.36
KCNH2 Q12809 2/20 0.35
GRM5 P41594 1/20 0.35
EGFR P00533 1/20 0.33
GPR6 P46095 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
SCHEMBL168095 0.97 NPC1 (0.38) NPC1RAB9AHRH3GRM5GPR6
SCHEMBL12474148 0.92 NPC1 (0.46) NPC1RAB9AHRH3KCNH2GRM5
SCHEMBL166685 0.91 NPC1 (0.37) NPC1RAB9AHRH3GRM5GPR6
SCHEMBL15738855 0.89 NPC1 (0.48) NPC1RAB9AHRH3GRM5GPR6
SCHEMBL166290 0.88 NPC1 (0.43) NPC1RAB9AHRH3GRM5GPR6
SCHEMBL165847 0.87 NPC1 (0.38) NPC1RAB9AHRH3KCNH2GRM5
Cadaverine Tartrate SCHEMBL165886 0.83 NPC1 (0.46) NPC1RAB9AHRH3GRM5GPR6
SCHEMBL164721 0.82 HRH3 (0.35) HRH3
SCHEMBL15737507 0.81 HRH3 (0.35) HRH3KCNH2
SCHEMBL168483 0.81 HRH3 (0.36) HRH3KCNH2GPR6

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 6 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-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

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 NPC1 1118/4885RAB9A 1485/4885HRH3 1/4885

“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.