SCHEMBL3913014

SCHEMBL3913014

COC(=O)CCCc1cccc(N)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.47
MAOB P27338 2/20 0.47
SIRT2 Q8IXJ6 1/20 0.46
CYP19A1 P11511 1/20 0.46
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
TSHR P16473 1/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42

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 SCHEMBL7999705 0.98 MAOA (0.49) MAOAMAOBSIRT2CYP19A1CYP4F2
SCHEMBL6194181 0.95 HDAC6 (0.50) MAOAMAOBSIRT2CYP19A1CYP4F2
Hydrochloric Acid SCHEMBL28005596 0.94 HDAC6 (0.49) MAOAMAOBSIRT2CYP19A1CYP4F2
SCHEMBL1067199 0.90 SIRT2 (0.54) MAOAMAOBSIRT2CYP19A1CYP4F2
Hydrochloric Acid SCHEMBL1788098 0.89 SIRT2 (0.53) MAOAMAOBSIRT2CYP19A1CYP4F2
SCHEMBL1068777 0.85 ALOX5 (0.54) MAOAMAOBCYP19A1CYP4F2CYP4A11
SCHEMBL4841796 0.84 LOXL2 (0.54) SIRT2CYP4F2CYP4A11HDAC1HDAC6
SCHEMBL1309936 0.84 MME (0.46) MAOBCYP19A1HDAC1
Hydrochloric Acid SCHEMBL6985808 0.84 ALOX5 (0.53) MAOAMAOBCYP4F2CYP4A11TDP1
Hydrochloric Acid SCHEMBL4841789 0.83 LOXL2 (0.53) SIRT2CYP4F2CYP4A11HDAC1HDAC6

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
WO-2023143393-A1 TRICYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海科技大学 2023-08-03 WO disclosed
CN-101828111-B Human T2R bitter taste receptor and uses thereof SENOMYX INC 2014-07-23 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 MAOA 1165/4885MAOB 792/4885SIRT2 2367/4885

“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.