SCHEMBL4085180

SCHEMBL4085180

OC1(Cc2ccccc2)C=CC=CC1.OC1CNC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.38
MC4R P32245 2/20 0.35
ALDH1A1 P00352 1/20 0.33
HSD11B1 P28845 1/20 0.33
CTSD P07339 1/20 0.32
MAOA P21397 4/20 0.32
MAOB P27338 4/20 0.32
LMNA P02545 1/20 0.31
GLB1 P16278 1/20 0.31
GBA2 Q9HCG7 1/20 0.31
HTR2C P28335 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
KDM1A O60341 2/20 0.30
CYP3A4 P08684 1/20 0.30

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
SCHEMBL27583423 0.73 KDM1A (0.39) ALDH1A1HSD11B1MAOAMAOBKDM1A
SCHEMBL28681014 0.73 ALDH1A1 (0.41) ALDH1A1
SCHEMBL7894379 0.68 MAOA (0.37) ALDH1A1HSD11B1MAOAMAOBLMNA
SCHEMBL9585009 0.68 TAAR1 (0.34) HSD11B1
SCHEMBL10702406 0.68 TSHR (0.40) GBA1ALDH1A1GBA2SLC6A2SLC6A4
Diphenylmethane SCHEMBL7400899 0.67 CALM1 (0.57) GBA1MC4RCTSDLMNAHTR2C
SCHEMBL30528007 0.67 EPHX2 (0.35) ALDH1A1LMNA
SCHEMBL17414858 0.66 MAOA (0.47) HSD11B1MAOAMAOBLMNAKDM1A
SCHEMBL8155755 0.66 MAOA (0.38) HSD11B1MAOAMAOBKDM1A
SCHEMBL8907133 0.66 MAOA (0.38) HSD11B1MAOAMAOBLMNAKDM1A

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 GBA1 466/4885MC4R 81/4885ALDH1A1 1099/4885

“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.