SCHEMBL4470239

SCHEMBL4470239

C[C@H]1CN(Cc2ccc(-c3ccccc3Cl)cc2)C[C@H](C)O1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.62
HTT P42858 2/20 0.62
AGTR1 P30556 1/20 0.61
AGTR2 P50052 1/20 0.61
GRM2 Q14416 3/20 0.61
CYP2A13 Q16696 1/20 0.56
CNR2 P34972 3/20 0.55
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
HRH4 Q9H3N8 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
ALDH1A1 P00352 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MAOB P27338 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL4470243 1.00 KDM4E (0.62) KDM4EHTTAGTR1AGTR2GRM2
SCHEMBL4472255 0.83 KDM4E (0.60) KDM4EHTTAGTR1AGTR2GRM2
SCHEMBL4489207 0.81 CNR2 (0.58) KDM4EHTTAGTR1AGTR2GRM2
SCHEMBL9163572 0.81 CNR2 (0.58) KDM4EHTTAGTR1AGTR2GRM2
SCHEMBL9163565 0.81 CNR2 (0.58) KDM4EHTTAGTR1AGTR2GRM2
SCHEMBL9163766 0.81 CNR2 (0.58) KDM4EHTTAGTR1AGTR2GRM2
SCHEMBL70870 0.80 KDM4E (0.65) KDM4EHTTAGTR1AGTR2CYP2A13
SCHEMBL1591329 0.80 KDM4E (0.65) KDM4EHTTAGTR1AGTR2CYP2A13
SCHEMBL1591865 0.80 KDM4E (0.65) KDM4EHTTAGTR1AGTR2CYP2A13
SCHEMBL4510409 0.80 KDM4E (0.65) KDM4EHTTAGTR1AGTR2CYP2A13

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 4 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
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
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 KDM4E 2472/4885HTT 3858/4885AGTR1 234/4885

“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.