SCHEMBL255654

SCHEMBL255654

Ic1ccc(OCC2CC2)cc1

nearest known ligand 0.72

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 5/20 0.55
PARP10 Q53GL7 5/20 0.55
PARP2 Q9UGN5 2/20 0.55
TDP1 Q9NUW8 1/20 0.49
APP P05067 1/20 0.48
SIGMAR1 Q99720 1/20 0.47

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
SCHEMBL29024848 0.89 PARP15 (0.64) PARP15PARP10PARP2TDP1SIGMAR1
SCHEMBL14863368 0.87 TDP1 (0.68) TDP1
SCHEMBL14862577 0.84 CXCR1 (0.50)
SCHEMBL7723342 0.83 PARP15 (0.42) PARP15PARP10PARP2TDP1SIGMAR1
SCHEMBL7450653 0.79 SIGMAR1 (0.51) SIGMAR1
SCHEMBL24180195 0.78 PARP15 (0.55) PARP15PARP10PARP2SIGMAR1
SCHEMBL2665020 0.78 PARP15 (0.55) PARP15PARP10PARP2TDP1SIGMAR1
SCHEMBL9966867 0.78 PARP15 (0.55) PARP15PARP10PARP2TDP1SIGMAR1
SCHEMBL1263048 0.78 PARP15 (0.59) PARP15PARP10PARP2TDP1SIGMAR1
SCHEMBL3667235 0.78 PARP15 (0.55) PARP15PARP10PARP2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2611771-B1 SUBSTITUTED HETEROARYL- AND ARYLALKYNYL BENZENE DERIVATIVES AS ACC-INHIBITORS FOR THE TREATMENT OF METABOLIC DISEASES BOEHRINGER INGELHEIM INT (DE) 2016-11-23 EP disclosed
EP-2948442-B1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2016-10-26 EP disclosed
EP-2794586-B1 NEW AZIRIDINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE AS ACETYL-COA CARBOXYLASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2016-04-20 EP disclosed
EP-2794586-B1 NEW AZIRIDINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE AS ACETYL-COA CARBOXYLASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2016-04-20 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-9169205-B2 Pyrrolidine derivatives, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-27 US disclosed
US-9169205-B2 Pyrrolidine derivatives, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-27 US disclosed
US-20140343083-A1 Pyrrolidine derivatives, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-20 US disclosed
US-20140343083-A1 Pyrrolidine derivatives, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-20 US disclosed
EP-2351743-A1 BICYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-08-03 EP disclosed
WO-2006055245-A2 PROCESS FOR PREPARING PYRAZOLOPYRIDINE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-05-26 WO disclosed
US-20060089371-A1 Phenyl or heteroaryl amino alkane derivatives as ip receptor antagonist BAYER HEALTHCARE AG (DE) 2006-04-27 US disclosed
EP-1575919-A1 PHENYL OR HETEROARYL AMINO ALKANE DERIVATIVES AS IP RECEPTOR ANTAGONIST Bayer HealthCare AG (DE) 2005-09-21 EP disclosed
US-6787651-B2 2-CARBOXY-SUBSTITUTED; TREATING OSTEOPENIA, OSTEOPOROSIS, CANCER, DIABETES AND ATHEROSCLEROSIS. SMITHKLINE BEECHAM CORPORATION 2004-09-07 US disclosed
CN-1505613-A Substituted indoles, pharmaceutical compositions containing such indoles and their use as ppar-gamma binding agents ʷ��˿�������ȳ�ķ���޹�˾ 2004-06-16 CN disclosed
WO-2004043926-A1 PHENYL OR HETEROARYL AMINO ALKANE DERIVATIVES AS IP RECEPTOR ANTAGONIST BAYER HEALTHCARE AG (DE) 2004-05-27 WO disclosed
EP-1341761-A1 SUBSTITUTED INDOLES, PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH INDOLES AND THEIR USE AS PPAR-$g(g) BINDING AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2003-09-10 EP disclosed
US-20030087902-A1 Substituted indoles, pharmaceutical compounds containing such indoles and their use as PPAR-gamma binding agents SMITHKLINE BEECHAM CORPORATION 2003-05-08 US disclosed
WO-2002030895-A1 SUBSTITUTED INDOLES, PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH INDOLES AND THEIR USE AS PPAR-η BINDING AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2002-04-18 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-20030087902-A1 Substituted indoles, pharmaceutical compounds containing such indoles and their use as PPAR-gamma binding agents PPARG, PPARA, PPARD PARP15 366/4885PARP10 381/4885PARP2 1081/4885
US-20140343083-A1 Pyrrolidine derivatives, pharmaceutical compositions and uses thereof ACACB, PC, ACACA PARP15 152/4885PARP10 544/4885PARP2 127/4885
US-20060089371-A1 Phenyl or heteroaryl amino alkane derivatives as ip receptor antagonist BPHL, HRH4, HRH2 PARP15 815/4885PARP10 807/4885PARP2 770/4885

“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.