SCHEMBL4084644

SCHEMBL4084644

O=C(NCc1csc(-c2cccs2)n1)N1CC(OC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 17/20 0.50
RAB9A P51151 5/20 0.50
NPC1 O15118 5/20 0.50
PKM P14618 1/20 0.50
MAPT P10636 3/20 0.49
POLB P06746 1/20 0.48
LMNA P02545 1/20 0.48
ALDH1A1 P00352 3/20 0.46
SLC6A4 P31645 1/20 0.42
DPP4 P27487 1/20 0.40
DPP8 Q6V1X1 1/20 0.40
DPP9 Q86TI2 1/20 0.40

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
SCHEMBL4075656 0.83 KMT2A (0.47) KDM4ERAB9ANPC1PKMMAPT
SCHEMBL4079557 0.77 THRB (0.43) NPC1
SCHEMBL4087451 0.76 KMT2A (0.46)
SCHEMBL4075759 0.75 MAPT (0.48) PKMMAPTPOLB
SCHEMBL4087569 0.75 TUBB4A (0.48) KDM4ERAB9AMAPTPOLBALDH1A1
SCHEMBL4079026 0.73 OPRM1 (0.43)
SCHEMBL4083294 0.72 KMT2A (0.48) RAB9ANPC1POLBLMNAALDH1A1
SCHEMBL4084898 0.72 POLB (0.45) RAB9ANPC1POLBALDH1A1
SCHEMBL4079251 0.72 EPHX2 (0.59)
SCHEMBL4078364 0.72 CNR1 (0.55) RAB9ANPC1

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-1620395-B1 AZETIDINECARBOXAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CB1 RECEPTOR MEDIATED DISORDERS VERNALIS RES LTD (GB) 2009-12-30 EP disclosed
US-7504522-B2 Azetidinecarboxamide derivatives and their use in the treatment of cb1 receptor mediated disorders VERNALIS RESEARCH LIMITED (GB) 2009-03-17 US disclosed
US-20070054891-A1 Azetidinecarboxamide derivatives and their use in the treatment of cb1 receptor mediated disorders VERNALIS RESEARCH LIMAITED (GB) 2007-03-08 US disclosed
EP-1620395-A1 AZETIDINECARBOXAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CB1 RECEPTOR MEDIATED DISORDERS VERNALIS RESEARCH LIMITED (GB) 2006-02-01 EP disclosed
WO-2004096763-A1 AZETIDINECARBOXAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CB1 RECEPTOR MEDIATED DISORDERS VERNALIS RESEARCH LIMITED (GB) 2004-11-11 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-20070054891-A1 Azetidinecarboxamide derivatives and their use in the treatment of cb1 receptor mediated disorders CNR1, CNR2, GPR119 KDM4E 737/4885RAB9A 259/4885NPC1 205/4885

“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.