SCHEMBL3909614

SCHEMBL3909614

Cc1ccc(C(=O)C2CCCCC2)c(N)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
GAA P10253 1/20 0.47
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
NPSR1 Q6W5P4 1/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 1/20 0.41
CYP2D6 P10635 1/20 0.41
KDM2B Q8NHM5 1/20 0.39
ALDH1A1 P00352 2/20 0.39
HDAC3 O15379 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC2 Q92769 2/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
THRB P10828 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP2C19 P33261 1/20 0.38

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
SCHEMBL1340890 0.98 KMT2A (0.44) KMT2AGAARAB9ANPC1NPSR1
SCHEMBL5329509 0.92 KMT2A (0.44) KMT2AGAARAB9ANPC1NPSR1
SCHEMBL1342546 0.87 KMT2A (0.47) KMT2AGAARAB9ANPC1NPSR1
SCHEMBL1339192 0.85 MAPT (0.46) KMT2AGAARAB9ANPC1NPSR1
SCHEMBL5278967 0.84 HDAC1 (0.41) KMT2ARAB9ANPC1MAPTMEN1
SCHEMBL1342269 0.82 MAPT (0.46) KMT2AGAANPC1NPSR1MAPT
SCHEMBL7920995 0.81 HDAC3 (0.48) KMT2AGAARAB9ANPC1MAPT
SCHEMBL5285314 0.81 AAK1 (0.49) KMT2ARAB9ANPC1MAPTMEN1
SCHEMBL28835719 0.81 KMT2A (0.47) KMT2AGAARAB9ANPC1NPSR1
SCHEMBL5278117 0.81 ALDH1A1 (0.52) KMT2ARAB9AMEN1ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7524837-B2 Benzotriazapinone salts and methods for using same JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-28 US disclosed
WO-2007135350-A1 BENZOTRIAZEPINONE DERIVATIVES JAMES BLACK FOUNDATION (GB) 2007-11-29 WO disclosed
WO-2007135417-A1 BENZOTRIAZEPINONE DERIVATIVES JAMES BLACK FOUNDATION (GB) 2007-11-29 WO disclosed
CN-100348196-C Benzotriaza * as gastrin and cholecystokinin receptor ligands BLACK JAMES FOUNDATION (GB) 2007-11-14 CN disclosed
WO-2006129120-A9 BENZOTRIAZEPINONE DERIVATIVES JAMES BLACK FOUNDATION (GB) 2007-03-22 WO disclosed
WO-2006129120-A2 BENZOTRIAZEPINONE DERIVATIVES JAMES BLACK FOUNDATION (GB) 2006-12-07 WO disclosed
US-20060003993-A1 Benzotriazepnes as gastrin and cholecystokinin receptor ligands JAMES BLACK FOUNDATION LIMITED (GB) 2006-01-05 US disclosed
EP-1443934-B1 BENZOTRIAZEPINES AS GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS BLACK JAMES FOUNDATION (GB) 2005-04-20 EP disclosed
CN-1585643-A Benzotriazepines as gastrin and cholecystokinin receptor ligands BLACK JAMES FOUNDATION (GB) 2005-02-23 CN disclosed
US-20050026911-A1 Benzotriazapinone salts and methods for using same JANSSEN PHARMACEUTICA, N.V. (BE) 2005-02-03 US disclosed
WO-2004101533-A1 1, 3, 4-BENZOTRIAZEPIN-2-ONE SALTS AND THEIR USE AS CCK RECEPTOR LIGANDS JANSSEN PHARMACEUTICA, N.V. (US) 2004-11-25 WO disclosed
EP-1443934-A1 BENZOTRIAZEPINES AS GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 2004-08-11 EP disclosed
WO-2003041714-A1 BENZOTRIAZEPINES AS GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 2003-05-22 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-20050026911-A1 Benzotriazapinone salts and methods for using same H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, SLC13A3, CLIC1 KMT2A 3476/4885GAA 4279/4885RAB9A 1687/4885
US-20060003993-A1 Benzotriazepnes as gastrin and cholecystokinin receptor ligands CCKBR, GRPR, CCKAR KMT2A 3003/4885GAA 1038/4885RAB9A 3107/4885

“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.