SCHEMBL4488918

SCHEMBL4488918

Clc1ccccc1-c1ccc(CN2CCOCC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.67
CNR2 P34972 4/20 0.62
CYP2A13 Q16696 4/20 0.59
SMN1; SMN2 Q16637 3/20 0.54
TSHR P16473 3/20 0.54
NPC1 O15118 2/20 0.54
TP53 P04637 2/20 0.54
MAPK1 P28482 2/20 0.54
RAB9A P51151 2/20 0.54
SLC2A1 P11166 1/20 0.52
PTAFR P25105 1/20 0.51
PDE10A Q9Y233 2/20 0.51
PDE2A O00408 1/20 0.50
PDE6D O43924 1/20 0.50
PDE6A P16499 1/20 0.50
PDE6G P18545 1/20 0.50
PDE6B P35913 1/20 0.50
PDE6C P51160 1/20 0.50
PDE1B Q01064 1/20 0.50
PDE7A Q13946 1/20 0.50

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
SCHEMBL4649570 0.85 SIGMAR1 (0.62) CNR2SMN1; SMN2KMT2A
SCHEMBL14060063 0.82 CYP2A13 (0.50) HRH3CNR2CYP2A13SMN1; SMN2TSHR
SCHEMBL4473916 0.82 HRH3 (0.63) HRH3CNR2CYP2A13SMN1; SMN2TSHR
4-(Biphenyl-4-Ylmethyl)Morpholine SCHEMBL1691308 0.82 HRH3 (0.85) HRH3SMN1; SMN2TSHRNPC1RAB9A
SCHEMBL27966164 0.81 SIGMAR1 (0.62) HRH3CNR2MEN1KMT2A
SCHEMBL8070873 0.80 PKM (0.56) CNR2NPC1TP53RAB9AMEN1
SCHEMBL4478068 0.80 CNR2 (0.65) HRH3CNR2SMN1; SMN2TSHRNPC1
SCHEMBL4477687 0.80 CNR2 (0.63) HRH3CNR2CYP2A13SMN1; SMN2TSHR
SCHEMBL7699664 0.79 HRH3 (0.55) HRH3CNR2CYP2A13SMN1; SMN2TSHR
SCHEMBL15467001 0.79 HRH3 (0.87) HRH3CYP2A13SMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7595397-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-29 US disclosed
US-7595397-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-29 US disclosed
US-7595397-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-29 US disclosed
EP-1966132-A2 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-09-10 EP disclosed
US-20070191340-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-08-16 US disclosed
US-20070191340-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-08-16 US disclosed
US-20070191340-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-08-16 US disclosed
WO-2007070760-A2 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-21 WO disclosed
WO-2007070760-A2 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-21 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-20070191340-A1 Compounds Which Modulate The CB2 Receptor CNR1, CNR2, ARRB1 HRH3 283/4885CNR2 2/4885CYP2A13 617/4885

“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.