SCHEMBL3910906

SCHEMBL3910906

Cc1cccc(N)c1C(=O)C1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.48
HDAC1 Q13547 2/20 0.45
HDAC2 Q92769 2/20 0.45
HDAC3 O15379 1/20 0.45
P2RX7 Q99572 2/20 0.43
TSHR P16473 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
EPHX1 P07099 1/20 0.41
BCL2L1 Q07817 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SRD5A2 P31213 1/20 0.38
CD44 P16070 1/20 0.37

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
SCHEMBL3919655 0.82 HDAC3 (0.50) CYP2C19HDAC1HDAC2HDAC3KMT2A
SCHEMBL28432192 0.81 HDAC1 (0.46) CYP2C19HDAC1HDAC2HDAC3RAB9A
SCHEMBL5283531 0.77 NPC1 (0.45) CYP2C19HDAC1HDAC2P2RX7TSHR
SCHEMBL7827807 0.76 CYP2C19 (0.64) CYP2C19HDAC1HDAC2HDAC3TSHR
Cyclohexane Carboxamide SCHEMBL11754186 0.75 ALDH1A1 (0.50) HDAC1HDAC2HDAC3P2RX7TSHR
SCHEMBL5729067 0.73 NPC1 (0.58) CYP2C19P2RX7TSHRKMT2ANPC1
SCHEMBL29953271 0.73 HDAC3 (0.54) CYP2C19HDAC1HDAC2HDAC3TSHR
SCHEMBL3908300 0.73 HDAC3 (0.54) CYP2C19HDAC1HDAC2HDAC3TSHR
SCHEMBL21585160 0.73 TYK2 (0.46) CYP2C19P2RX7MAPTNPC1
SCHEMBL3920568 0.73 HDAC3 (0.54) CYP2C19HDAC1HDAC2HDAC3TSHR

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 9 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
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 CYP2C19 84/4885HDAC1 2567/4885HDAC2 2817/4885
US-20060003993-A1 Benzotriazepnes as gastrin and cholecystokinin receptor ligands CCKBR, GRPR, CCKAR CYP2C19 144/4885HDAC1 1117/4885HDAC2 1278/4885

“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.