SCHEMBL3074674

SCHEMBL3074674

CC(C)(C)c1ccc2oc(N3CCCNCC3)nc2c1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.58
TRPV1 Q8NER1 2/20 0.56
HTR6 P50406 4/20 0.48
HRH4 Q9H3N8 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
FAAH O00519 1/20 0.44
PRKCI P41743 1/20 0.43
GPR119 Q8TDV5 1/20 0.41

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
SCHEMBL3068916 0.88 CNR2 (0.53) CNR2TRPV1HTR6HRH4SMN1; SMN2
SCHEMBL3081079 0.85 HTR6 (0.49) HTR6SMN1; SMN2FAAHGPR119
SCHEMBL15727622 0.82 HTR6 (0.53) CNR2TRPV1HTR6HRH4
SCHEMBL3063001 0.81 CNR2 (0.59) CNR2TRPV1LMNAHTTSMN1; SMN2
SCHEMBL3082150 0.81 PTGES (0.53) HTR6HRH4
SCHEMBL6501249 0.79 HTR6 (0.53) HTR6SMN1; SMN2FAAHGPR119
SCHEMBL3076019 0.78 FAAH (0.52) HTR6FAAH
SCHEMBL221216 0.78 ELANE (0.51) HTR6LMNAHTTSMN1; SMN2
SCHEMBL3101725 0.75 HTR3E (0.55) HTR6
SCHEMBL27435525 0.75 HTR6 (0.52) HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100261708-A1 Diazepane Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-14 US disclosed
US-20100261708-A1 Diazepane Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-14 US disclosed
US-20100261708-A1 Diazepane Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-14 US disclosed
EP-2215080-A1 DIAZEPANE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2010-08-11 EP disclosed
WO-2009055357-A1 DIAZEPANE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-30 WO disclosed
WO-2009055357-A1 DIAZEPANE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-30 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-20100261708-A1 Diazepane Compounds Which Modulate The CB2 Receptor CNR1, CNR2, BDKRB2 CNR2 2/4885TRPV1 9/4885HTR6 345/4885

“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.