SCHEMBL4636063

SCHEMBL4636063

Clc1ccc(COC2CN(C(c3ccccc3)c3ccccc3)C2)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.48
DRD4 P21917 1/20 0.42
SIGMAR1 Q99720 3/20 0.41
PLA2G1B P04054 1/20 0.41
POLB P06746 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
MGLL Q99685 1/20 0.41
NAAA Q02083 2/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSK P43235 1/20 0.40
IDO1 P14902 2/20 0.40
S1PR1 P21453 1/20 0.39
HTR2A P28223 1/20 0.39
KCNH2 Q12809 1/20 0.39
S1PR5 Q9H228 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL4635795 0.85 TACR1 (0.49) TACR1DRD4NAAACTSLCTSB
SCHEMBL1768861 0.83 CTSL (0.55) TACR1SIGMAR1TMEM97NAAACTSL
SCHEMBL4635725 0.80 NAAA (0.50) TACR1NAAACTSLCTSBCTSK
SCHEMBL5219952 0.77 HRH1 (0.51) KCNH2
SCHEMBL4636695 0.76 NAAA (0.53) TACR1NAAACTSLCTSBCTSK
SCHEMBL4635535 0.76 TACR1 (0.54) TACR1DRD4SIGMAR1MGLLNAAA
SCHEMBL1769180 0.74 CHRM2 (0.35) TACR1DRD4POLBHTR2AKCNH2
SCHEMBL2007270 0.72 OPRM1 (0.47) HTR2AKCNH2ALDH1A1CYP2D6
SCHEMBL5982149 0.72 FFAR1 (0.51) TACR1SIGMAR1S1PR1HTR2AKCNH2
SCHEMBL6774815 0.72 SLC6A2 (0.42) KCNH2CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1617839-B1 THE USE OF AZETIDINECARBOXAMIDE DERIVATIVES IN THERAPY VERNALIS RES LTD (GB) 2008-06-18 EP disclosed
US-20060276452-A1 Use of azetidinecarboxamide derivatives in therapy VERNALIS RESEARCH LIMITED (GB) 2006-12-07 US disclosed
EP-1617839-A1 THE USE OF AZETIDINECARBOXAMIDE DERIVATIVES IN THERAPY VERNALIS RESEARCH LIMITED (GB) 2006-01-25 EP disclosed
WO-2004096209-A1 THE USE OF AZETIDINECARBOXAMIDE DERIVATIVES IN THERAPY VERNALIS RESEARCH LIMITED (GB) 2004-11-11 WO disclosed
EP-1049672-B1 AZETIDINECARBOXAMIDE DERIVATIVES FOR TREATING CNS DISORDERS VERNALIS RES LTD (GB) 2003-09-17 EP disclosed
EP-1212054-A2 AZETIDINE COMPOUNDS IN CNS AND EYE DISEASES VERNALIS RESEARCH LIMITED (GB) 2002-06-12 EP disclosed
US-6403574-B1 TRANQUILIZERS, ANTIEPILEPTIC, MUSCLE RELAXATION PRIOR TO SURGERY VERNALIS RESEARCH LIMITED (GB) 2002-06-11 US disclosed
WO-2001007023-A2 AZETIDINE COMPOUNDS IN CNS AND EYE DISEASES VERNALIS RESEARCH LIMITED (GB) 2001-02-01 WO disclosed
EP-1049672-A1 AZETIDINECARBOXAMIDE DERIVATIVES FOR TREATING CNS DISORDERS VERNALIS RESEARCH LIMITED (GB) 2000-11-08 EP disclosed
WO-1999037612-A1 AZETIDINECARBOXAMIDE DERIVATIVES FOR TREATING CNS DISORDERS VERNALIS RESEARCH LIMITED (GB) 1999-07-29 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-20060276452-A1 Use of azetidinecarboxamide derivatives in therapy CNR1, CNR2, GPR18 TACR1 76/4885DRD4 397/4885SIGMAR1 208/4885

“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.