SCHEMBL3912957

SCHEMBL3912957

COC(=O)CN(C)c1cccc(N)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 9/20 0.42
MTNR1B P49286 9/20 0.42
CLK1 P49759 1/20 0.40
ALDH1A1 P00352 4/20 0.39
AKR1B1 P15121 1/20 0.38
DDX3X O00571 1/20 0.38
CYP3A4 P08684 1/20 0.37
MAPK1 P28482 1/20 0.36
F2 P00734 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL9164559 0.86 ALDH1A1 (0.40) MTNR1AMTNR1BCLK1ALDH1A1AKR1B1
SCHEMBL22400033 0.83 HSD17B1 (0.43) MTNR1AMTNR1BALDH1A1
SCHEMBL15263457 0.82 PBRM1 (0.41) CLK1ALDH1A1DDX3X
SCHEMBL3915878 0.82 ALDH1A1 (0.41) MTNR1AMTNR1BCLK1ALDH1A1AKR1B1
SCHEMBL29173926 0.81 ALDH1A1 (0.45) MTNR1AMTNR1BALDH1A1
SCHEMBL3448675 0.81 ALDH1A1 (0.47) MTNR1AMTNR1BCLK1ALDH1A1CYP3A4
SCHEMBL5345206 0.80 POLB (0.44) ALDH1A1MAPK1KDM4E
SCHEMBL16980504 0.79 MAPT (0.43) MTNR1AMTNR1BALDH1A1CYP3A4KDM4E
SCHEMBL8010339 0.79 MTNR1A (0.40) MTNR1AMTNR1BALDH1A1
Hydrochloric Acid SCHEMBL8159357 0.78 POLB (0.43) ALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104220535-A Carboxylate dyes MILLIKEN & CO 2014-12-17 CN disclosed
US-7524837-B2 Benzotriazapinone salts and methods for using same JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-28 US disclosed
EP-1443934-B1 BENZOTRIAZEPINES AS GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS BLACK JAMES FOUNDATION (GB) 2005-04-20 EP 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 (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-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 MTNR1A 401/4885MTNR1B 477/4885CLK1 2449/4885

“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.