SCHEMBL3572304

SCHEMBL3572304

Brc1ccc(OCC2CCC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 8/20 0.57
PARP10 Q53GL7 8/20 0.57
PARP2 Q9UGN5 2/20 0.57
TDP1 Q9NUW8 2/20 0.46
HPGD P15428 2/20 0.44
MAPT P10636 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL5118241 0.96 PARP10 (0.57) PARP15PARP10PARP2TDP1HPGD
SCHEMBL385757 0.94 PARP10 (0.58) PARP15PARP10PARP2TDP1HPGD
SCHEMBL9966867 0.92 PARP15 (0.55) PARP15PARP10PARP2TDP1
SCHEMBL20870755 0.83 TSHR (0.45) PARP15PARP10PARP2TDP1
SCHEMBL9280800 0.83 TDP1 (0.50) PARP15PARP10PARP2TDP1
SCHEMBL2460394 0.83 TDP1 (0.68) TDP1
SCHEMBL9280802 0.83 TDP1 (0.50) PARP15PARP10PARP2TDP1
SCHEMBL11312939 0.82 PARP15 (0.46) PARP15PARP10PARP2TDP1
SCHEMBL11312915 0.82 PARP15 (0.46) PARP15PARP10PARP2TDP1
Hydrochloric Acid SCHEMBL15538089 0.82 TDP1 (0.71) TDP1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2997024-B1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2018-03-28 EP disclosed
EP-2997024-B1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2018-03-28 EP disclosed
EP-2997024-A1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF Boehringer Ingelheim International GmbH (DE) 2016-03-23 EP disclosed
US-9278954-B2 Pyrrolidine derivatives, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-03-08 US disclosed
US-9278954-B2 Pyrrolidine derivatives, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-03-08 US disclosed
US-9278954-B2 Pyrrolidine derivatives, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-03-08 US disclosed
EP-2588451-B1 PIPERIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS BOEHRINGER INGELHEIM INT (DE) 2015-12-30 EP disclosed
US-9006450-B2 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-14 US disclosed
US-9006450-B2 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-14 US disclosed
WO-2014184104-A1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-20 WO disclosed
WO-2014184104-A1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-20 WO disclosed
US-20140343083-A1 Pyrrolidine derivatives, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-20 US disclosed
US-20120157425-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-21 US disclosed
US-20120157425-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-21 US disclosed
WO-2012001107-A1 PIPERIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-05 WO disclosed
US-7705023-B2 Indoles useful in the treatment of inflammation BIOLIPOX AB (SE) 2010-04-27 US disclosed
EP-1778632-B1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2008-08-20 EP disclosed
US-20070287715-A1 Indoles Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2007-12-13 US disclosed
EP-1778632-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2007-05-02 EP disclosed
WO-2005123673-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2005-12-29 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-20070287715-A1 Indoles Useful in the Treatment of Inflammation PTGS1, IDO1, PTGES PARP15 1540/4885PARP10 1580/4885PARP2 2237/4885
US-20140343083-A1 Pyrrolidine derivatives, pharmaceutical compositions and uses thereof ACACB, PC, ACACA PARP15 152/4885PARP10 544/4885PARP2 127/4885
US-20120157425-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF P2RX5, P2RX3, ABCG2 PARP15 576/4885PARP10 1176/4885PARP2 1101/4885

“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.