SCHEMBL4383658

SCHEMBL4383658

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

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.39
MDM2 Q00987 1/20 0.39
P2RX7 Q99572 3/20 0.37
PTGER4 P35408 4/20 0.37
PTGER2 P43116 1/20 0.35
EPHX2 P34913 1/20 0.35
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
OPRK1 P41145 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
SIGMAR1 Q99720 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
SCHEMBL4383655 1.00 TP53 (0.39) TP53MDM2P2RX7PTGER4PTGER2
SCHEMBL4383662 1.00 TP53 (0.39) TP53MDM2P2RX7PTGER4PTGER2
SCHEMBL5249674 0.98 TP53 (0.38) TP53MDM2P2RX7PTGER4PTGER2
SCHEMBL5249677 0.98 TP53 (0.38) TP53MDM2P2RX7PTGER4PTGER2
SCHEMBL4389499 0.91 PTGER4 (0.38) P2RX7PTGER4PTGER2EPHX2SIGMAR1
SCHEMBL4389493 0.91 PTGER4 (0.38) P2RX7PTGER4PTGER2EPHX2SIGMAR1
SCHEMBL4389496 0.91 PTGER4 (0.38) P2RX7PTGER4PTGER2EPHX2SIGMAR1
SCHEMBL4373151 0.90 PTGER4 (0.39) P2RX7PTGER4PTGER2HCRTR1HCRTR2
SCHEMBL4373158 0.90 PTGER4 (0.39) P2RX7PTGER4PTGER2HCRTR1HCRTR2
SCHEMBL4373155 0.90 PTGER4 (0.39) P2RX7PTGER4PTGER2HCRTR1HCRTR2

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
US-6977260-B2 administering to an animal having ocular hypertension a piperidynly analog; a container adapted to dispense the ophthalmic solution in a metered form ALLERGAN, INC. (US) 2005-12-20 US claimed
US-20050164990-A1 PIPERIDINYL PROSTAGLANDIN E ANALOGS ALLERGAN, INC. 2005-07-28 US 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
EP-1722795-B1 PIPERIDINYL PROSTAGLANDIN E ANALOGS ALLERGAN INC (US) 2008-05-07 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
US-6977260-B2 administering to an animal having ocular hypertension a piperidynly analog; a container adapted to dispense the ophthalmic solution in a metered form ALLERGAN, INC. (US) 2005-12-20 US 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
US-20050164990-A1 PIPERIDINYL PROSTAGLANDIN E ANALOGS ALLERGAN, INC. 2005-07-28 US 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 (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-20050164990-A1 PIPERIDINYL PROSTAGLANDIN E ANALOGS PTGIR, PTGDR, PTGER1 TP53 4700/4885MDM2 3861/4885P2RX7 432/4885
US-20050171062-A1 Treatment of inflammatory bowel disease SLC10A2, GUCY1B1, PTGER1 TP53 4759/4885MDM2 4836/4885P2RX7 1124/4885
US-20040248854-A1 Piperidinyl prostaglandin E analogs PTGIR, PTGER1, PTGS1 TP53 4459/4885MDM2 4643/4885P2RX7 184/4885

“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.