SCHEMBL16151406

SCHEMBL16151406

Cc1cc(CC(C)C)c2c(c1)cc1n2CCNC1=O

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 13/20 0.41
▸ HRH3 Q9Y5N1 5/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ RPS6KA3 P51812 1/20 0.34

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
SCHEMBL16150846 0.93 RPS6KA3 (0.41) HRH3RPS6KA3
SCHEMBL17439961 0.89 PARP1 (0.43) PARP1HRH3CYP2D6ALDH1A1GAA
SCHEMBL16150597 0.88 PARP1 (0.42) PARP1HRH3CYP2D6ALDH1A1GAA
SCHEMBL19187272 0.88 PARP1 (0.39) PARP1HRH3CYP2D6ALDH1A1GAA
SCHEMBL16151298 0.85 PARP1 (0.39) PARP1HRH3CYP2D6ALDH1A1GAA
SCHEMBL16150818 0.85 PARP1 (0.46) PARP1HRH3CYP2D6
SCHEMBL19188530 0.84 PARP1 (0.51) PARP1HRH3CYP2D6ALDH1A1GAA
SCHEMBL19187269 0.83 PARP1 (0.41) PARP1HRH3CYP2D6
SCHEMBL19187534 0.83 HRH3 (0.41) PARP1HRH3CYP2D6
SCHEMBL19187624 0.82 HRH3 (0.36) PARP1HRH3CYP2D6

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-2981538-B1 PIPERAZINO[1,2-A]INDOL-1-ONES AND [1,4]DIAZEPINO[1,2-A]INDOL-1-ONE HOFFMANN LA ROCHE (CH) 2017-08-02 — — EP claimed
US-9586966-B2 Piperazino[1,2-a]indol-1-ones and [1,4]diazepino[1,2-a]indol-one HOFFMANN-LA ROCHE INC. (US) 2017-03-07 — — US claimed
US-20160016963-A1 Piperazino[1,2-a]indol-1-ones and [1,4]diazepino[1,2-a]indol-one HOFFMANN-LA ROCHE INC. (US) 2016-01-21 — — US claimed
EP-2981538-B1 PIPERAZINO[1,2-A]INDOL-1-ONES AND [1,4]DIAZEPINO[1,2-A]INDOL-1-ONE HOFFMANN LA ROCHE (CH) 2017-08-02 — — EP disclosed
US-9586966-B2 Piperazino[1,2-a]indol-1-ones and [1,4]diazepino[1,2-a]indol-one HOFFMANN-LA ROCHE INC. (US) 2017-03-07 — — US disclosed
US-9586966-B2 Piperazino[1,2-a]indol-1-ones and [1,4]diazepino[1,2-a]indol-one HOFFMANN-LA ROCHE INC. (US) 2017-03-07 — — US disclosed
US-9586966-B2 Piperazino[1,2-a]indol-1-ones and [1,4]diazepino[1,2-a]indol-one HOFFMANN-LA ROCHE INC. (US) 2017-03-07 — — US disclosed
EP-2981538-A1 PIPERAZINO[1,2-A]INDOL-1-ONES AND [1,4]DIAZEPINO[1,2-A]INDOL-1-ONE F. Hoffmann-La Roche AG (CH) 2016-02-10 — — EP disclosed
US-20160016963-A1 Piperazino[1,2-a]indol-1-ones and [1,4]diazepino[1,2-a]indol-one HOFFMANN-LA ROCHE INC. (US) 2016-01-21 — — US disclosed
US-20160016963-A1 Piperazino[1,2-a]indol-1-ones and [1,4]diazepino[1,2-a]indol-one HOFFMANN-LA ROCHE INC. (US) 2016-01-21 — — US disclosed
US-20160016963-A1 Piperazino[1,2-a]indol-1-ones and [1,4]diazepino[1,2-a]indol-one HOFFMANN-LA ROCHE INC. (US) 2016-01-21 — — US disclosed
WO-2014161801-A1 PIPERAZINO[1,2-A]INDOL-1-ONES AND [1,4]DIAZEPINO[1,2-A]INDOL-1-ONE F. HOFFMANN-LA ROCHE AG (CH) 2014-10-09 — — WO disclosed
WO-2014161801-A1 PIPERAZINO[1,2-A]INDOL-1-ONES AND [1,4]DIAZEPINO[1,2-A]INDOL-1-ONE F. HOFFMANN-LA ROCHE AG (CH) 2014-10-09 — — 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-20160016963-A1 Piperazino[1,2-a]indol-1-ones and [1,4]diazepino[1,2-a]indol-one DRD3, HTR3C, HTR1D PARP1 205/4885HRH3 661/4885CYP2D6 1468/4885

“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.

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