SCHEMBL15577409

SCHEMBL15577409

CC1(C)C(=O)N(CCCOC2CC2)c2cc(Br)ccc21

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
BACE1 P56817 9/20 0.38
MAPT P10636 5/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TP53 P04637 4/20 0.36
PKM P14618 1/20 0.35
THRB P10828 1/20 0.35
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
NFKB1 P19838 1/20 0.33
THPO P40225 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
SCHEMBL15577345 0.86 CYP19A1 (0.33) BACE1MEN1KMT2ACYP3A4CYP2D6
SCHEMBL16324450 0.81 BACE1 (0.42) BACE1MEN1KMT2ACYP3A4CYP2D6
SCHEMBL2245660 0.81 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2NPC1RAB9ABACE1
SCHEMBL16322517 0.80 BACE1 (0.38) BACE1
SCHEMBL16321168 0.79 MEN1 (0.37) ALDH1A1SMN1; SMN2NPC1RAB9ABACE1
SCHEMBL31559546 0.79 BACE1 (0.45) ALDH1A1SMN1; SMN2NPC1RAB9ABACE1
SCHEMBL17275721 0.78 MEN1 (0.36) ALDH1A1SMN1; SMN2NPC1RAB9ABACE1
SCHEMBL31411732 0.76 CRHR1 (0.47)
SCHEMBL5564013 0.76 HTT (0.39) ALDH1A1SMN1; SMN2MAPT
SCHEMBL15577342 0.75 CPT2 (0.40) KMT2A

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
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
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
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
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 ALDH1A1 475/4885SMN1; SMN2 2148/4885NPC1 1856/4885
US-20150284386-A1 2-OXO-2,3-DIHYDRO-INDOLES FOR THE TREATMENT OF CNS DISORDERS HCRTR2, TPH2, CNR2 ALDH1A1 1145/4885SMN1; SMN2 703/4885NPC1 1757/4885

“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.