SCHEMBL3074616

SCHEMBL3074616

O=C(N1CCCNCC1)N1CCOCC1

nearest known ligand 0.85

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.64
CHKA P35790 1/20 0.64
MEN1 O00255 1/20 0.64
TP53 P04637 1/20 0.64
KMT2A Q03164 1/20 0.64
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 1/20 0.46
AKR1C3 P42330 2/20 0.45
RECQL P46063 1/20 0.43
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
POLB P06746 1/20 0.42
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA9 Q16790 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
Hydrochloric Acid SCHEMBL6762954 0.98 CA2 (0.62) CA2CHKAMEN1TP53KMT2A
SCHEMBL388370 0.92 CA2 (0.61) CA2CHKAMEN1TP53KMT2A
Hydrochloric Acid SCHEMBL1597363 0.90 CA2 (0.59) CA2CHKAMEN1TP53KMT2A
SCHEMBL27793589 0.88 CA2 (0.82) CA2CHKAMEN1TP53KMT2A
Formic Acid SCHEMBL7305919 0.85 CA2 (0.53) CA2CHKAMEN1TP53KMT2A
SCHEMBL23124372 0.81 CA2 (0.86) CA2CHKAMEN1TP53KMT2A
SCHEMBL3954355 0.81 MEN1 (0.86) CA2CHKAMEN1TP53KMT2A
SCHEMBL937637 0.81 CA2 (0.95) CA2CHKAMEN1TP53KMT2A
SCHEMBL30677423 0.81 MEN1 (0.95) MEN1TP53KMT2ASMN1; SMN2MAPT
Trifluoroacetic Acid SCHEMBL9066267 0.80 CA2 (0.48) CA2CHKAMEN1TP53KMT2A

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 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
EP-1644343-B1 5-SUBSTITUTED QUINAZOLINONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2007-07-04 EP disclosed
EP-1644343-A1 5-SUBSTITUTED QUINAZOLINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-04-12 EP disclosed
US-20050124607-A1 5-Substituted quinazolinone compounds useful as alpha 1A/B adrenergic receptor antagonists ROCHE PALO ALTO LLC 2005-06-09 US disclosed
WO-2005005397-A1 5-SUBSTITUTED QUINAZOLINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-01-20 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 (2 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 CA2 1705/4885CHKA 587/4885MEN1 4504/4885
US-20050124607-A1 5-Substituted quinazolinone compounds useful as alpha 1A/B adrenergic receptor antagonists ADRB1, ADRA1B, ADRB2 CA2 2739/4885CHKA 808/4885MEN1 3488/4885

“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.