SCHEMBL3909608

SCHEMBL3909608

COC(=O)[C@H]1CCCN1c1cccc(N)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.43
FPR2 P25090 1/20 0.43
GAA P10253 1/20 0.43
BACE1 P56817 1/20 0.42
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
ADRA2C P18825 1/20 0.40
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
OGFRL1 Q5TC84 1/20 0.39
LOX P28300 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
LTA4H P09960 2/20 0.38
ALOX5 P09917 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
SCHEMBL3909612 1.00 SCN9A (0.43) SCN9AFPR2GAABACE1CHRNB2
SCHEMBL7467423 0.86 GPR119 (0.41) BACE1CHRNB2CHRNA4ADRA2C
SCHEMBL6161182 0.86 GPR119 (0.41) BACE1CHRNB2CHRNA4ADRA2C
SCHEMBL13310423 0.84 ALDH1A1 (0.47) SCN9AFPR2GAABACE1OPRM1
SCHEMBL13310419 0.84 ALDH1A1 (0.47) SCN9AFPR2GAABACE1OPRM1
SCHEMBL28778304 0.83 KMT2A (0.43) GAACHRNB2CHRNA4ADRA2C
SCHEMBL3884242 0.83 SCN9A (0.41) SCN9AFPR2BACE1OPRM1OPRD1
SCHEMBL29035348 0.83 SCN9A (0.48) SCN9AFPR2BACE1OPRM1OPRD1
SCHEMBL26246339 0.83 SCN9A (0.48) SCN9AFPR2BACE1OPRM1OPRD1
Hydrochloric Acid SCHEMBL2333520 0.82 SCN9A (0.41) SCN9AFPR2BACE1OPRM1OPRD1

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-7524837-B2 Benzotriazapinone salts and methods for using same JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-28 US disclosed
CN-100348196-C Benzotriaza * as gastrin and cholecystokinin receptor ligands BLACK JAMES FOUNDATION (GB) 2007-11-14 CN 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
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 SCN9A 62/4885FPR2 1046/4885GAA 4279/4885
US-20060003993-A1 Benzotriazepnes as gastrin and cholecystokinin receptor ligands CCKBR, GRPR, CCKAR SCN9A 1419/4885FPR2 583/4885GAA 1038/4885

“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.