SCHEMBL4489117

SCHEMBL4489117

CC(c1ccc(Br)cc1)N1CCOC(c2ccccc2)C1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.45
CHRM2 P08172 1/20 0.45
DRD3 P35462 1/20 0.45
HTR2B P41595 1/20 0.45
LTA4H P09960 3/20 0.44
MOGAT2 Q3SYC2 1/20 0.43
CCR5 P51681 1/20 0.42
CYP2D6 P10635 2/20 0.41
SLC18A3 Q16572 1/20 0.40
OPRM1 P35372 1/20 0.39
CNR2 P34972 3/20 0.38
MC4R P32245 1/20 0.38
PRCP P42785 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
USP30 Q70CQ3 1/20 0.36
CYP1A2 P05177 1/20 0.36
GSK3B P49841 1/20 0.36

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
SCHEMBL2299681 0.95 CYP2D6 (0.45) HTR1ACHRM2DRD3HTR2BLTA4H
SCHEMBL2295881 0.95 CYP2D6 (0.45) HTR1ACHRM2DRD3HTR2BLTA4H
SCHEMBL83704 0.95 CYP2D6 (0.45) HTR1ACHRM2DRD3HTR2BLTA4H
SCHEMBL2295242 0.95 CYP2D6 (0.45) HTR1ACHRM2DRD3HTR2BLTA4H
SCHEMBL170144 0.95 CYP2D6 (0.45) HTR1ACHRM2DRD3HTR2BLTA4H
SCHEMBL2115070 0.83 CYP2D6 (0.47) LTA4HCCR5CYP2D6SLC18A3OPRM1
SCHEMBL2295583 0.82 CHRM2 (0.45) HTR1ACHRM2DRD3HTR2BLTA4H
SCHEMBL2290318 0.82 CYP2D6 (0.45) HTR1ACHRM2DRD3HTR2BLTA4H
SCHEMBL82176 0.82 CYP2D6 (0.45) HTR1ACHRM2DRD3HTR2BLTA4H
SCHEMBL2291288 0.82 CYP2D6 (0.45) HTR1ACHRM2DRD3HTR2BLTA4H

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 HTR1A 44/4885CHRM2 150/4885DRD3 240/4885

“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.