SCHEMBL4476258

SCHEMBL4476258

Cc1ccc(Cl)c(-c2ccc(CN3CCN(C(=O)C(C)(C)C)C(c4ccccc4)C3)cc2)c1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.58
RIPK1 Q13546 3/20 0.45
TACR1 P25103 7/20 0.43
P2RX7 Q99572 1/20 0.43
S1PR1 P21453 2/20 0.41
S1PR5 Q9H228 2/20 0.41
MGLL Q99685 2/20 0.40
TACR2 P21452 2/20 0.40
CYP46A1 Q9Y6A2 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL4481910 0.90 CNR2 (0.61) CNR2TACR1P2RX7S1PR1S1PR5
SCHEMBL4475198 0.89 CNR2 (0.53) CNR2RIPK1TACR1P2RX7S1PR1
SCHEMBL4471532 0.88 CNR2 (0.59) CNR2TACR1P2RX7S1PR1S1PR5
SCHEMBL4472734 0.88 CNR2 (0.59) CNR2TACR1P2RX7S1PR1S1PR5
SCHEMBL4477211 0.87 CNR2 (0.58) CNR2TACR1P2RX7S1PR1S1PR5
SCHEMBL4477636 0.87 CNR2 (0.58) CNR2TACR1P2RX7TACR2
SCHEMBL4473901 0.86 CNR2 (0.52) CNR2S1PR1S1PR5MGLLCYP46A1
SCHEMBL4471995 0.85 CNR2 (0.56) CNR2P2RX7S1PR1S1PR5KDM4E
SCHEMBL4477428 0.82 CNR2 (0.64) CNR2P2RX7S1PR1S1PR5CYP46A1
SCHEMBL4472224 0.82 CNR2 (0.66) CNR2P2RX7S1PR1S1PR5ALDH1A1

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 CNR2 2/4885RIPK1 2439/4885TACR1 203/4885

“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.