SCHEMBL3909314

SCHEMBL3909314

CC1(C(=O)CBr)CCCC1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.36
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TRPA1 O75762 1/20 0.35
NPSR1 Q6W5P4 1/20 0.31
TSHR P16473 1/20 0.30
HSD11B1 P28845 1/20 0.30
CETP P11597 1/20 0.30

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
SCHEMBL19383627 0.98 ALDH1A1 (0.38) FFAR3ALDH1A1SMN1; SMN2TRPA1NPSR1
SCHEMBL3239419 0.98 ALDH1A1 (0.38) FFAR3ALDH1A1SMN1; SMN2TRPA1NPSR1
SCHEMBL16664136 0.91 ALDH1A1 (0.35) FFAR3ALDH1A1SMN1; SMN2HSD11B1CETP
SCHEMBL1143457 0.90
SCHEMBL23124171 0.79 FFAR3 (0.32) FFAR3TRPA1
SCHEMBL7968390 0.77 FFAR3 (0.38) FFAR3ALDH1A1SMN1; SMN2HSD11B1CETP
SCHEMBL9852700 0.77 FFAR3 (0.38) FFAR3ALDH1A1SMN1; SMN2HSD11B1CETP
SCHEMBL7080167 0.75 ALDH1A1 (0.39) FFAR3ALDH1A1SMN1; SMN2TSHRHSD11B1
SCHEMBL22550126 0.75 ALDH1A1 (0.39) FFAR3ALDH1A1SMN1; SMN2TSHRHSD11B1
SCHEMBL12883183 0.75 ALDH1A1 (0.39) FFAR3ALDH1A1SMN1; SMN2TSHRHSD11B1

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 10 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
US-20070082892-A1 Benzotriazepine derivatives and their use as gastrin and cholecystokinin receptor ligands JAMES BLACK FOUNDATION LIMITED (GB) 2007-04-12 US disclosed
WO-2006051312-A1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 2006-05-18 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
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
WO-2004098610-A1 BENZOTRIAZEPINE DERIVATIVES AND THEIR USE AS GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 2004-11-18 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 (3 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 FFAR3 1604/4885ALDH1A1 2875/4885SMN1; SMN2 3306/4885
US-20070082892-A1 Benzotriazepine derivatives and their use as gastrin and cholecystokinin receptor ligands CCKBR, GRPR, CCKAR FFAR3 326/4885ALDH1A1 2440/4885SMN1; SMN2 4457/4885
US-20060003993-A1 Benzotriazepnes as gastrin and cholecystokinin receptor ligands CCKBR, GRPR, CCKAR FFAR3 320/4885ALDH1A1 1894/4885SMN1; SMN2 4220/4885

“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.