SCHEMBL4469770

SCHEMBL4469770

Cc1ccc(C)c(-c2ccc(CN3CCOCC3)cc2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.61
TNKS O95271 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
CNR2 P34972 1/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
CAMKK2 Q96RR4 2/20 0.47
KDM1A O60341 1/20 0.47
CHUK O15111 1/20 0.46
MAPK8 P45983 1/20 0.46
NOS3 P29474 1/20 0.45
NOS1 P29475 1/20 0.45
NOS2 P35228 1/20 0.45
HSP90AA1 P07900 1/20 0.45
HSP90AB1 P08238 1/20 0.45
PDE4B Q07343 1/20 0.44
JAK2 O60674 1/20 0.44
CYP2A13 Q16696 1/20 0.44
CHEK1 O14757 1/20 0.44
AR P10275 1/20 0.44

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
SCHEMBL4465612 0.87 HRH3 (0.59) HRH3TNKSSMN1; SMN2NPC1RAB9A
SCHEMBL4477687 0.87 CNR2 (0.63) HRH3TNKSSMN1; SMN2CNR2NPC1
SCHEMBL24061141 0.83 HRH3 (0.82) HRH3SMN1; SMN2NPC1RAB9ANOS3
SCHEMBL11864 0.81 HRH3 (0.71) HRH3SMN1; SMN2NOS3NOS1NOS2
SCHEMBL26371010 0.81 HRH3 (0.72) HRH3TNKSSMN1; SMN2NPC1RAB9A
SCHEMBL14791028 0.80 HRH3 (0.69) HRH3SMN1; SMN2NOS3NOS1NOS2
SCHEMBL14787825 0.80 HRH3 (0.69) HRH3SMN1; SMN2NOS3NOS1NOS2
SCHEMBL13161945 0.79 HRH3 (0.62) HRH3TNKSSMN1; SMN2NPC1RAB9A
SCHEMBL13376445 0.78 HRH3 (0.68) HRH3TNKSSMN1; SMN2NPC1RAB9A
SCHEMBL4489047 0.78 AGTR1 (0.50) HRH3SMN1; SMN2CNR2NPC1RAB9A

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 283/4885TNKS 2774/4885SMN1; SMN2 4517/4885

“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.