SCHEMBL4373151

SCHEMBL4373151

COC(=O)COCC#CCN1C(=O)CCC[C@@H]1/C=C/C(=O)Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 8/20 0.39
HCRTR1 O43613 3/20 0.35
HCRTR2 O43614 3/20 0.35
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
CAPN1 P07384 1/20 0.33
P2RX7 Q99572 3/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
PTGER2 P43116 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
SCHEMBL4373155 1.00 PTGER4 (0.39) PTGER4HCRTR1HCRTR2CHRM2CHRM4
SCHEMBL4373158 1.00 PTGER4 (0.39) PTGER4HCRTR1HCRTR2CHRM2CHRM4
SCHEMBL4373161 0.91 PTGER4 (0.38) PTGER4HCRTR1HCRTR2CHRM2CHRM4
SCHEMBL4373157 0.91 PTGER4 (0.38) PTGER4HCRTR1HCRTR2CHRM2CHRM4
SCHEMBL4373152 0.91 PTGER4 (0.38) PTGER4HCRTR1HCRTR2CHRM2CHRM4
SCHEMBL4383655 0.90 TP53 (0.39) PTGER4HCRTR1HCRTR2P2RX7PTGER2
SCHEMBL4383658 0.90 TP53 (0.39) PTGER4HCRTR1HCRTR2P2RX7PTGER2
SCHEMBL4383662 0.90 TP53 (0.39) PTGER4HCRTR1HCRTR2P2RX7PTGER2
SCHEMBL5249674 0.89 TP53 (0.38) PTGER4HCRTR1HCRTR2P2RX7PTGER2
SCHEMBL5249677 0.89 TP53 (0.38) PTGER4HCRTR1HCRTR2P2RX7PTGER2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-7179820-B2 Piperidinyl prostaglandin E analogs ALLERGAN, INC. (US) 2007-02-20 US disclosed
WO-2006058080-A1 TREATMENT OF INFLAMMATORY BOWEL DISEASE ALLERGAN, INC. (US) 2006-06-01 WO disclosed
US-20050171062-A1 Treatment of inflammatory bowel disease ALLERGAN, INC. (US) 2005-08-04 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 (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 PTGER4 18/4885HCRTR1 1008/4885HCRTR2 1471/4885
US-20040248854-A1 Piperidinyl prostaglandin E analogs PTGIR, PTGER1, PTGS1 PTGER4 14/4885HCRTR1 1222/4885HCRTR2 1234/4885

“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.