SCHEMBL4079289

SCHEMBL4079289

O=C(NCC1COc2ccccc2O1)N1CC(OC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.57
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
TSHR P16473 3/20 0.57
MTNR1A P48039 1/20 0.52
KDM4E B2RXH2 1/20 0.48
HPGD P15428 2/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 5/20 0.45
LMNA P02545 1/20 0.45
AIMP2 Q13155 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP3A4 P08684 1/20 0.43
GLA P06280 1/20 0.43
ALOX12 P18054 1/20 0.43
MAPT P10636 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
SCHEMBL4079286 0.93 NPC1 (0.52) SMN1; SMN2NPC1RAB9ATSHRMTNR1A
SCHEMBL5802003 0.88 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9ATSHRMTNR1A
SCHEMBL5799246 0.83 TSHR (0.42) SMN1; SMN2NPC1RAB9ATSHRMTNR1A
SCHEMBL4078364 0.78 CNR1 (0.55) NPC1RAB9A
SCHEMBL4079987 0.75 CNR1 (0.57) SMN1; SMN2CYP2C19
SCHEMBL4186767 0.74 MAPT (0.50) SMN1; SMN2NPC1RAB9ATSHRMEN1
SCHEMBL4084892 0.74 FAAH (0.52) SMN1; SMN2NPC1RAB9A
SCHEMBL29574698 0.74 CNR1 (0.49) HPGDMEN1KMT2AALDH1A1CYP2C19
SCHEMBL4084840 0.74 CNR1 (0.49) HPGDMEN1KMT2AALDH1A1CYP2C19
SCHEMBL4084861 0.74 TSHR (0.53) SMN1; SMN2TSHRKDM4EHPGDMEN1

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 SMN1; SMN2 2253/4885NPC1 205/4885RAB9A 259/4885

“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.