SCHEMBL3919655

SCHEMBL3919655

Nc1cccc(F)c1C(=O)C1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC2 Q92769 2/20 0.50
PREP P48147 1/20 0.50
CRBN Q96SW2 1/20 0.45
KMT2A Q03164 2/20 0.44
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
LMNA P02545 1/20 0.41
SRD5A2 P31213 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
IDO1 P14902 1/20 0.38
HSD11B1 P28845 1/20 0.38
EPHX1 P07099 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
SCHEMBL23536765 0.90 KMT2A (0.49) HDAC3HDAC1HDAC2KMT2ACES2
SCHEMBL28432192 0.82 HDAC1 (0.46) HDAC3HDAC1HDAC2CES2CES1
SCHEMBL3910906 0.82 CYP2C19 (0.48) HDAC3HDAC1HDAC2KMT2ACYP2C19
SCHEMBL164708 0.76 CES2 (0.54) HDAC1PREPCRBNKMT2ACES2
SCHEMBL29953271 0.74 HDAC3 (0.54) HDAC3HDAC1HDAC2CYP2C19NPC1
SCHEMBL3920568 0.74 HDAC3 (0.54) HDAC3HDAC1HDAC2CYP2C19NPC1
SCHEMBL3908300 0.74 HDAC3 (0.54) HDAC3HDAC1HDAC2CYP2C19NPC1
SCHEMBL716489 0.74 CES2 (0.50) KMT2ACES2CES1NPC1RAB9A
SCHEMBL22041535 0.73 CRBN (0.57) PREPCRBNKMT2ANPC1RAB9A
SCHEMBL4608676 0.73 PPIA (0.50) HDAC2CES2CES1CYP2C19NPC1

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 11 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
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 HDAC3 918/4885HDAC1 2567/4885HDAC2 2817/4885
US-20060003993-A1 Benzotriazepnes as gastrin and cholecystokinin receptor ligands CCKBR, GRPR, CCKAR HDAC3 954/4885HDAC1 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.