SCHEMBL600329

SCHEMBL600329

Cc1nc(-c2ccc(C(=O)N3CC(C(=O)N4CCCN(C5CCC5)CC4)C3)cc2)cs1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.61
RAB9A P51151 2/20 0.61
ALDH1A1 P00352 2/20 0.61
PKM P14618 1/20 0.61
HPGD P15428 1/20 0.53
ACACB O00763 7/20 0.47
ACACA Q13085 7/20 0.47
HRH3 Q9Y5N1 5/20 0.46
RHOA P61586 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
L3MBTL3 Q96JM7 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MGLL Q99685 1/20 0.44
MAPK1 P28482 1/20 0.43

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
SCHEMBL600251 0.90 RHOA (0.57) NPC1RAB9AALDH1A1PKMACACB
SCHEMBL599177 0.82 KDM4E (0.59) HRH3L3MBTL3L3MBTL1
SCHEMBL599098 0.81 L3MBTL3 (0.46) ACACBACACAHRH3RHOAL3MBTL3
SCHEMBL600062 0.80 L3MBTL3 (0.44) ACACBACACAHRH3L3MBTL3L3MBTL1
SCHEMBL600472 0.79 ABL1 (0.53) HRH3RHOAL3MBTL3L3MBTL1
SCHEMBL600180 0.79 MAPK14 (0.52) NPC1RAB9AHRH3L3MBTL3L3MBTL1
SCHEMBL599543 0.78 HRH3 (0.55) ALDH1A1HRH3L3MBTL3L3MBTL1
SCHEMBL7893397 0.78 L3MBTL3 (0.55) ALDH1A1HRH3L3MBTL3L3MBTL1
SCHEMBL599523 0.77 ALDH1A1 (0.59) ALDH1A1HRH3SMN1; SMN2L3MBTL3L3MBTL1
SCHEMBL600534 0.77 MKNK1 (0.51) HPGDACACBACACAHRH3SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2391617-B1 AZETIDINES AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC AG (DE) 2015-11-11 EP claimed
US-8912176-B2 Azetidines as histamine H3 receptor antagonists EVOTEC AG (DE) 2014-12-16 US claimed
US-20120040952-A1 AZETIDINES AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC AG (DE) 2012-02-16 US claimed
EP-2391617-B1 AZETIDINES AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC AG (DE) 2015-11-11 EP disclosed
EP-2391617-B1 AZETIDINES AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC AG (DE) 2015-11-11 EP disclosed
US-8912176-B2 Azetidines as histamine H3 receptor antagonists EVOTEC AG (DE) 2014-12-16 US disclosed
US-8912176-B2 Azetidines as histamine H3 receptor antagonists EVOTEC AG (DE) 2014-12-16 US disclosed
US-8912176-B2 Azetidines as histamine H3 receptor antagonists EVOTEC AG (DE) 2014-12-16 US disclosed
US-20120040952-A1 AZETIDINES AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC AG (DE) 2012-02-16 US disclosed
US-20120040952-A1 AZETIDINES AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC AG (DE) 2012-02-16 US disclosed
US-20120040952-A1 AZETIDINES AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC AG (DE) 2012-02-16 US disclosed
EP-2391617-A1 AZETIDINES AS HISTAMINE H3 RECEPTOR ANTAGONISTS Evotec AG (DE) 2011-12-07 EP disclosed
WO-2010086403-A1 AZETIDINES AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2010-08-05 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-20120040952-A1 AZETIDINES AS HISTAMINE H3 RECEPTOR ANTAGONISTS HRH3, HRH2, HRH1 NPC1 2650/4885RAB9A 590/4885ALDH1A1 1670/4885

“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.