SCHEMBL3076019

SCHEMBL3076019

c1ccc(-c2ccc3oc(N4CCCNCC4)nc3c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FAAH O00519 7/20 0.52
HTR6 P50406 3/20 0.51
GAA P10253 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PIK3CA P42336 2/20 0.46
HTR1A P08908 2/20 0.45
HTR7 P34969 2/20 0.45
NCF1 P14598 1/20 0.44
ELANE P08246 1/20 0.44
HTR2B P41595 1/20 0.43
HTR3A P46098 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
SCHEMBL221216 0.83 ELANE (0.51) HTR6GAANCF1ELANEHTR3A
SCHEMBL3081079 0.82 HTR6 (0.49) FAAHHTR6HTR1AHTR7NCF1
SCHEMBL3082150 0.81 PTGES (0.53) HTR6HTR3A
SCHEMBL3068916 0.78 CNR2 (0.53) FAAHHTR6NCF1HTR3A
SCHEMBL3074674 0.78 CNR2 (0.58) FAAHHTR6
SCHEMBL195554 0.77 HTR6 (0.53) HTR6GAAHTR1AHTR7ELANE
SCHEMBL6501249 0.76 HTR6 (0.53) FAAHHTR6
Hydrochloric Acid SCHEMBL4058879 0.76 HTR6 (0.52) HTR6GAAHTR1AHTR7ELANE
SCHEMBL3476885 0.75 FAAH (0.81) FAAHHTR6
SCHEMBL3101725 0.75 HTR3E (0.55) HTR6HTR3A

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-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
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 FAAH 64/4885HTR6 345/4885GAA 4673/4885

“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.