SCHEMBL3383267

SCHEMBL3383267

CC(C)N1CCN(C(=O)c2csc(COC(=O)C(C)(C)C)n2)CC1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.61
L3MBTL1 Q9Y468 4/20 0.45
RAB9A P51151 4/20 0.45
NPC1 O15118 3/20 0.45
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
PKM P14618 1/20 0.44
APEX1 P27695 1/20 0.44
RECQL P46063 1/20 0.44
ALDH1A1 P00352 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42

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
SCHEMBL4879309 0.84 HRH3 (0.61) HRH3MEN1KMT2A
SCHEMBL3382029 0.81 HRH3 (0.62) HRH3MEN1KMT2A
SCHEMBL3383348 0.81 HRH3 (0.72) HRH3MEN1KMT2A
SCHEMBL3386166 0.76 HRH3 (1.00) HRH3MEN1KMT2A
SCHEMBL459217 0.75 RAB9A (0.56) L3MBTL1RAB9ANPC1CASP3SENP8
SCHEMBL28763451 0.75 HRH3 (0.52) HRH3MEN1KMT2A
SCHEMBL3386840 0.74 HRH3 (1.00) HRH3
SCHEMBL3382379 0.74 HRH3 (1.00) HRH3MEN1KMT2A
SCHEMBL1421535 0.72 RAB9A (0.60) L3MBTL1RAB9ANPC1CASP3SENP8
SCHEMBL27677455 0.70 HRH3 (0.55) HRH3MEN1KMT2A

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-1771432-B1 NON-IMIDAZOLE HETEROCYCLIC COMPOUNDS AS HISTAMINE H3 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-08 EP disclosed
US-20080317671-A1 NON-IMIDAZOLE HETEROCYCLIC COMPOUNDS CARRUTHERS NICHOLAS I 2008-12-25 US disclosed
US-7429659-B2 Furan compounds as histamine H3 modulators JANSSEN PHARMACEUTICA N.V. (BE) 2008-09-30 US disclosed
EP-1771432-A2 NON-IMIDAZOLE HETEROCYCLIC COMPOUNDS AS HISTAMINE H3 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-04-11 EP disclosed
WO-2005096734-A2 NON-IMIDAZOLE HETEROCYCLIC COMPOUNDS AS HISTAMINE H3 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-10-20 WO disclosed
US-20050222129-A1 Non-imidazole heterocyclic compounds JANSSEN PHARMACEUTICAL, N.V. (BE) 2005-10-06 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 (2 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-20050222129-A1 Non-imidazole heterocyclic compounds HRH3, HRH4, HRH2 HRH3 1/4885L3MBTL1 2056/4885RAB9A 1837/4885
US-20080317671-A1 NON-IMIDAZOLE HETEROCYCLIC COMPOUNDS HRH3, HRH4, HRH2 HRH3 1/4885L3MBTL1 2056/4885RAB9A 1837/4885

“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.