SCHEMBL1907494

SCHEMBL1907494

CC(=O)N1c2ccc(-c3ccc(CN(C)C(=O)OCc4ccccc4)cc3)cc2[C@H](Nc2ccc(F)cn2)C[C@@H]1C

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 20/20 0.54
BRD2 P25440 15/20 0.53
BRD3 Q15059 15/20 0.53
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49

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
SCHEMBL12095426 0.90 BRD4 (0.62) BRD4BRD2BRD3CYP3A4CYP2D6
SCHEMBL1907497 0.85 BRD4 (0.56) BRD4BRD2BRD3CYP3A4CYP2D6
SCHEMBL1907492 0.81 BRD4 (0.58) BRD4BRD2BRD3CYP3A4CYP2D6
SCHEMBL1907411 0.81 BRD4 (0.52) BRD4BRD2BRD3CYP3A4CYP2D6
SCHEMBL1904036 0.81 BRD4 (0.57) BRD4BRD2BRD3CYP3A4CYP2D6
SCHEMBL11907823 0.81 BRD4 (0.65) BRD4BRD2BRD3CYP3A4CYP2D6
SCHEMBL11978870 0.81 BRD4 (0.65) BRD4BRD2BRD3CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL11907386 0.80 BRD4 (0.64) BRD4BRD2BRD3CYP3A4CYP2D6
SCHEMBL12095427 0.80 BRD4 (0.63) BRD4BRD2BRD3CYP3A4CYP2D6
SCHEMBL1908471 0.78 BRD4 (0.71) BRD4BRD2BRD3CYP3A4CYP2D6

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
EP-2496558-B1 TETRAHYDROQUINOLINES DERIVATIVES AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE LLC (US) 2016-03-30 EP disclosed
US-8580957-B2 Thetrahydroquinolines derivatives as bromodomain inhibitors GLAXOSMITHKLINE LLC (US) 2013-11-12 US disclosed
US-8580957-B2 Thetrahydroquinolines derivatives as bromodomain inhibitors GLAXOSMITHKLINE LLC (US) 2013-11-12 US disclosed
US-8580957-B2 Thetrahydroquinolines derivatives as bromodomain inhibitors GLAXOSMITHKLINE LLC (US) 2013-11-12 US disclosed
US-20120208814-A1 Thetrahydroquinolines Derivatives As Bromodomain Inhibitors GLAXOSMITHKLINE LLC 2012-08-16 US disclosed
US-20120208814-A1 Thetrahydroquinolines Derivatives As Bromodomain Inhibitors GLAXOSMITHKLINE LLC 2012-08-16 US disclosed
US-20120208814-A1 Thetrahydroquinolines Derivatives As Bromodomain Inhibitors GLAXOSMITHKLINE LLC 2012-08-16 US disclosed
WO-2011054848-A1 THETRAHYDROQUINOLINES DERIVATIVES AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE LLC (US) 2011-05-12 WO disclosed
WO-2011054848-A1 THETRAHYDROQUINOLINES DERIVATIVES AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE LLC (US) 2011-05-12 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-20120208814-A1 Thetrahydroquinolines Derivatives As Bromodomain Inhibitors BRD4, BRDT, BRPF3 BRD4 1/4885BRD2 5/4885BRD3 4/4885

“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.