SCHEMBL1376751

SCHEMBL1376751

COC(=O)COCC#CCN1C(=O)CCC[C@@H]1CCC(=O)Cc1cccc(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.38
TP53 P04637 1/20 0.38
MDM2 Q00987 1/20 0.38
EPHX2 P34913 1/20 0.35
THRB P10828 1/20 0.34
HPGD P15428 1/20 0.34
HCRTR1 O43613 2/20 0.33
HCRTR2 O43614 2/20 0.33
OPRK1 P41145 1/20 0.33
PTGER4 P35408 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
F10 P00742 1/20 0.32

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
SCHEMBL4381028 1.00 P2RX7 (0.38) P2RX7TP53MDM2EPHX2THRB
SCHEMBL4376526 0.91 P2RX7 (0.37) P2RX7EPHX2THRBHPGDPTGER4
SCHEMBL1376813 0.91 P2RX7 (0.37) P2RX7EPHX2THRBHPGDPTGER4
SCHEMBL4379670 0.90 HCRTR1 (0.35) P2RX7HCRTR1HCRTR2PTGER4
SCHEMBL4379665 0.90 HCRTR1 (0.35) P2RX7HCRTR1HCRTR2PTGER4
SCHEMBL1377509 0.86 P2RX7 (0.37) P2RX7TP53MDM2EPHX2HCRTR1
SCHEMBL4380996 0.86 PTGER4 (0.39) PTGER4
SCHEMBL4380999 0.86 PTGER4 (0.39) PTGER4
SCHEMBL4380998 0.86 PTGER4 (0.39) PTGER4
SCHEMBL4383655 0.82 TP53 (0.39) P2RX7TP53MDM2EPHX2HCRTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4740883-B2 2011-08-03 JP claimed
EP-1722795-A1 PIPERIDINYL PROSTAGLANDIN E ANALOGS Allergan, Inc. (US) 2006-11-22 EP claimed
WO-2005072735-A1 PIPERIDINYL PROSTAGLANDIN E ANALOGS ALLERGAN, INC. (US) 2005-08-11 WO claimed
EP-1631355-B1 PIPERIDINYL PROSTAGLANDIN E ANALOGS ALLERGAN INC (US) 2014-08-13 EP disclosed
EP-1817033-B1 TREATMENT OF INFLAMMATORY BOWEL DISEASE ALLERGAN INC (US) 2009-11-18 EP disclosed
US-7326716-B2 Treatment of inflammatory bowel disease ALLERGAN, INC. (US) 2008-02-05 US disclosed
EP-1817033-A1 TREATMENT OF INFLAMMATORY BOWEL DISEASE Allergan, Inc. (US) 2007-08-15 EP disclosed
US-7179820-B2 Piperidinyl prostaglandin E analogs ALLERGAN, INC. (US) 2007-02-20 US disclosed
EP-1722795-A1 PIPERIDINYL PROSTAGLANDIN E ANALOGS Allergan, Inc. (US) 2006-11-22 EP disclosed
WO-2006058080-A1 TREATMENT OF INFLAMMATORY BOWEL DISEASE ALLERGAN, INC. (US) 2006-06-01 WO disclosed
EP-1631355-A1 PIPERIDINYL PROSTAGLANDIN E ANALOGS Allergan, Inc. (US) 2006-03-08 EP disclosed
WO-2005072735-A1 PIPERIDINYL PROSTAGLANDIN E ANALOGS ALLERGAN, INC. (US) 2005-08-11 WO disclosed
US-20050171062-A1 Treatment of inflammatory bowel disease ALLERGAN, INC. (US) 2005-08-04 US disclosed
WO-2004108215-A1 PIPERIDINYL PROSTAGLANDIN E ANALOGS ALLERGAN, INC. (US) 2004-12-16 WO disclosed
US-20040248854-A1 Piperidinyl prostaglandin E analogs ALLERGAN, INC. 2004-12-09 US 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-20050171062-A1 Treatment of inflammatory bowel disease SLC10A2, GUCY1B1, PTGER1 P2RX7 1124/4885TP53 4759/4885MDM2 4836/4885
US-20040248854-A1 Piperidinyl prostaglandin E analogs PTGIR, PTGER1, PTGS1 P2RX7 184/4885TP53 4459/4885MDM2 4643/4885

“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.