SCHEMBL15577372

SCHEMBL15577372

CC(C)N1C(=O)C(C)(C)c2ccc(Br)cc21

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.41
CNR1 P21554 1/20 0.39
BACE1 P56817 10/20 0.38
MARK3 P27448 1/20 0.36
SLC6A4 P31645 2/20 0.35
SLC6A2 P23975 1/20 0.35
RARA P10276 1/20 0.34
RARB P10826 1/20 0.34
RARG P13631 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
NFKB1 P19838 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
HIF1A Q16665 1/20 0.33

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
SCHEMBL31559289 1.00 PGR (0.41) PGRCNR1BACE1MARK3SLC6A4
SCHEMBL17254692 0.81 PGR (0.40) PGRMARK3SLC6A4SLC6A2RARA
SCHEMBL15577510 0.81 CYP19A1 (0.38) PGRMARK3SLC6A4SLC6A2RARA
SCHEMBL27421407 0.78 ALDH1A1 (0.36) PGRMARK3SLC6A4SLC6A2RARA
SCHEMBL30336789 0.78 PDE4A (0.42) PGRBACE1
SCHEMBL1232150 0.78 PDE4A (0.42) PGRBACE1
SCHEMBL7703905 0.77 RARA (0.56) PGRBACE1RARARARBRARG
SCHEMBL5561741 0.77 MAPT (0.43) CYP3A4
SCHEMBL4781632 0.77 RARA (0.50) MARK3RARARARBRARGCYP3A4
SCHEMBL4961767 0.76 SLC6A4 (0.54) PGRMARK3SLC6A4SLC6A2

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3010914-B1 INDOLIN-2-ONE OR PYRROLO-PYRIDIN/PYRIMIDIN-2-ONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2017-04-26 EP disclosed
US-9616053-B2 Indolin-2-one or pyrrolo-pyridin/pyrimidin-2-one derivatives HOFFMANN-LA ROCHE INC. (US) 2017-04-11 US disclosed
CN-104619701-B For treating 2-oxo-2 of CNS disease, 3-Dihydro-indole compounds 霍夫曼-拉罗奇有限公司 2016-10-19 CN disclosed
EP-2895476-B1 2-OXO-2,3-DIHYDRO-INDOLES FOR THE TREATMENT OF CNS DISORDERS HOFFMANN LA ROCHE (CH) 2016-06-22 EP disclosed
EP-3010914-A1 INDOLIN-2-ONE OR PYRROLO-PYRIDIN/PYRIMIDIN-2-ONE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2016-04-27 EP disclosed
US-20160095844-A1 INDOLIN-2-ONE OR PYRROLO-PYRIDIN/PYRIMIDIN-2-ONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2016-04-07 US disclosed
CN-105308039-A Indolin-2-one or pyrrolo-pyridin/pyrimidin-2-one derivatives HOFFMANN LA ROCHE 2016-02-03 CN disclosed
US-9221816-B2 2-oxo-2,3-dihydro-indoles for the treatment of CNS disorders HOFFMANN LA-ROCHE INC. (US) 2015-12-29 US disclosed
US-20150284386-A1 2-OXO-2,3-DIHYDRO-INDOLES FOR THE TREATMENT OF CNS DISORDERS HOFFMANN-LA ROCHE INC. (US) 2015-10-08 US disclosed
EP-2895476-A1 2-OXO-2,3-DIHYDRO-INDOLES FOR THE TREATMENT OF CNS DISORDERS F. Hoffmann-La Roche AG (CH) 2015-07-22 EP disclosed
CN-104619701-A 2-oxo-2,3-dihydro-indoles for the treatment of cns disorders HOFFMANN LA ROCHE 2015-05-13 CN disclosed
WO-2014202493-A1 INDOLIN-2-ONE OR PYRROLO-PYRIDIN/PYRIMIDIN-2-ONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2014-12-24 WO disclosed
WO-2014040969-A1 2-OXO-2,3-DIHYDRO-INDOLES FOR THE TREATMENT OF CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2014-03-20 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-20160095844-A1 INDOLIN-2-ONE OR PYRROLO-PYRIDIN/PYRIMIDIN-2-ONE DERIVATIVES HTR2C, OPRD1, DRD3 PGR 775/4885CNR1 72/4885BACE1 2310/4885
US-20150284386-A1 2-OXO-2,3-DIHYDRO-INDOLES FOR THE TREATMENT OF CNS DISORDERS HCRTR2, TPH2, CNR2 PGR 2049/4885CNR1 10/4885BACE1 2249/4885

“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.