SCHEMBL3075709

SCHEMBL3075709

O=C(N1CCOCC1)N1CCCN(c2ccc(F)cc2)CC1

nearest known ligand 0.88

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 14/20 0.88
▸ CYP2C9 P11712 1/20 0.63
▸ CYP2C19 P33261 1/20 0.63
▸ MEN1 O00255 1/20 0.59
▸ TP53 P04637 1/20 0.59
▸ KMT2A Q03164 1/20 0.59
▸ GAA P10253 1/20 0.58
▸ MAPT P10636 1/20 0.58
▸ PKM P14618 1/20 0.57
▸ CA12 O43570 1/20 0.55
▸ CA1 P00915 1/20 0.55
▸ CA2 P00918 1/20 0.55
▸ CA9 Q16790 1/20 0.55

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
SCHEMBL27607283 0.86 AKR1C3 (0.83) AKR1C3MEN1KMT2AGAACA12
SCHEMBL12082116 0.78 AKR1C3 (1.00) AKR1C3CYP2C9CYP2C19GAAMAPT
SCHEMBL4989535 0.78 AKR1C3 (0.71) AKR1C3CYP2C9CYP2C19GAAMAPT
SCHEMBL4989529 0.76 AKR1C3 (0.68) AKR1C3CYP2C9CYP2C19GAAMAPT
SCHEMBL16026460 0.76 CA12 (0.71) AKR1C3MEN1KMT2AGAACA12
SCHEMBL17838705 0.75 AKR1C3 (0.71) AKR1C3CYP2C9CYP2C19GAAMAPT
SCHEMBL18867933 0.75 AKR1C3 (0.65) AKR1C3MEN1TP53KMT2AMAPT
SCHEMBL4972149 0.75 AKR1C3 (0.65) AKR1C3MEN1TP53KMT2AMAPT
SCHEMBL16404482 0.75 MAPT (0.64) MEN1TP53KMT2AMAPTCA12
SCHEMBL30677423 0.75 MEN1 (0.95) AKR1C3CYP2C9CYP2C19MEN1TP53

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 8 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 claimed
EP-2215080-A1 DIAZEPANE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2010-08-11 — — EP claimed
WO-2009055357-A1 DIAZEPANE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-30 — — WO claimed
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

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 AKR1C3 968/4885CYP2C9 954/4885CYP2C19 879/4885

“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.

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