SCHEMBL4189112

SCHEMBL4189112

Cc1ccccc1C(OC1CCNCC1)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.48
SLC6A3 Q01959 5/20 0.48
CYP2D6 P10635 4/20 0.48
CHRM2 P08172 3/20 0.48
ADRA2A P08913 3/20 0.48
CHRM1 P11229 3/20 0.48
DRD1 P21728 3/20 0.48
ADRA1A P35348 3/20 0.48
OPRM1 P35372 3/20 0.48
DRD3 P35462 3/20 0.48
KCNH2 Q12809 3/20 0.48
HTR1A P08908 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48
MAPK1 P28482 1/20 0.47
CYP3A4 P08684 2/20 0.45
CYP2C9 P11712 2/20 0.45
LMNA P02545 2/20 0.45
PMP22 Q01453 2/20 0.45
CYP1A2 P05177 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL1802062 0.84 DRD3 (0.59) SLC6A2SLC6A3CYP2D6CHRM2ADRA2A
SCHEMBL8938186 0.83 SLC6A2 (0.42) SLC6A2SLC6A3CYP2D6CHRM2ADRA2A
Hydrochloric Acid SCHEMBL2476701 0.82 MAPK1 (0.60) SLC6A2SLC6A3CYP2D6CHRM2ADRA2A
SCHEMBL9256722 0.82 CYP2D6 (0.48) SLC6A2SLC6A3CYP2D6CHRM2ADRA2A
SCHEMBL9565893 0.82 IDO1 (0.51) SLC6A2SLC6A3CYP2D6CHRM2ADRA2A
SCHEMBL12064955 0.82 IDO1 (0.50) SLC6A2SLC6A3CYP2D6CHRM2ADRA2A
SCHEMBL9352969 0.82 DRD3 (0.54) SLC6A2SLC6A3CYP2D6CHRM2ADRA2A
Hydrochloric Acid SCHEMBL9353200 0.81 IDO1 (0.53) SLC6A2SLC6A3CYP2D6CHRM2ADRA2A
Alcohol SCHEMBL7226806 0.79 SLC6A2 (0.54) SLC6A2SLC6A3CYP2D6CHRM2ADRA2A
Acetic Acid SCHEMBL2472607 0.79 SLC6A2 (0.54) SLC6A2SLC6A3CYP2D6CHRM2ADRA2A

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
US-20090181939-A1 Azetidinecarboxamide Derivatives And Their Use In The Treatment Of CB1 Receptor Mediated Disorders VERNALIS RESEARCH LIMITED. (GB) 2009-07-16 US disclosed
US-20070173486-A1 Azetidinecarboxamide derivatives and their use in the treatment of cb1 receptor mediated disordrs VERNALIS RESEARCH LIMITED (GB) 2007-07-26 US disclosed
EP-1618105-A1 AZETIDINECARBOXAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CB1 RECEPTOR MEDIATED DISORDERS VERNALIS RESEARCH LIMITED (GB) 2006-01-25 EP disclosed
WO-2004096794-A1 AZETIDINECARBOXAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CB1 RECEPTOR MEDIATED DISORDRS VERNALIS RESEARCH LIMITED (GB) 2004-11-11 WO disclosed
EP-0529365-A1 Diarylmethoxypiperidine derivatives Kaken Pharmaceutical Co., Ltd. (JP) 1993-03-03 EP disclosed
US-5190959-A Antihistamines, antiallergens, treatment of ischemic heart disease KAKEN PHARMACEUTICAL CO. LTD. (JP) 1993-03-02 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-20090181939-A1 Azetidinecarboxamide Derivatives And Their Use In The Treatment Of CB1 Receptor Mediated Disorders CNR1, CNR2, GPR119 SLC6A2 760/4885SLC6A3 513/4885CYP2D6 280/4885
US-20070173486-A1 Azetidinecarboxamide derivatives and their use in the treatment of cb1 receptor mediated disordrs CNR1, CNR2, GPR119 SLC6A2 587/4885SLC6A3 294/4885CYP2D6 371/4885

“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.