SCHEMBL3068916

SCHEMBL3068916

FC(F)(F)c1ccc2oc(N3CCCNCC3)nc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.53
PTGES O14684 1/20 0.50
HTR6 P50406 3/20 0.49
HRH4 Q9H3N8 1/20 0.47
ADRB2 P07550 1/20 0.47
NCF1 P14598 1/20 0.47
HTR1D P28221 2/20 0.46
HTR2C P28335 2/20 0.46
ADRB1 P08588 1/20 0.44
TRPV1 Q8NER1 1/20 0.43
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HTR3A P46098 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL15727622 0.95 HTR6 (0.53) CNR2PTGESHTR6HRH4ADRB2
SCHEMBL3074674 0.88 CNR2 (0.58) CNR2HTR6HRH4TRPV1SMN1; SMN2
SCHEMBL3081079 0.82 HTR6 (0.49) HTR6NCF1HTR1DHTR2CALDH1A1
SCHEMBL3082150 0.81 PTGES (0.53) PTGESHTR6HRH4HTR3EHTR3B
SCHEMBL6485721 0.80 CNR2 (0.56) CNR2PTGESHRH4HTR1DHTR2C
SCHEMBL3076019 0.78 FAAH (0.52) HTR6NCF1HTR3AFAAH
SCHEMBL27435525 0.78 HTR6 (0.52) HTR6
SCHEMBL221216 0.78 ELANE (0.51) HTR6NCF1HTR3AMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL27077852 0.77 HTR6 (0.51) HTR6
SCHEMBL6501249 0.76 HTR6 (0.53) HTR6ADRB1ALDH1A1SMN1; SMN2FAAH

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 2/4885PTGES 244/4885HTR6 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.