SCHEMBL4373161

SCHEMBL4373161

O=C(O)COCC#CCN1C(=O)CCCC1C=CC(=O)Cc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 15/20 0.38
PTGER3 P43115 2/20 0.35
PTGER2 P43116 1/20 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
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33

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
SCHEMBL4373152 1.00 PTGER4 (0.38) PTGER4PTGER3PTGER2CHRM2CHRM4
SCHEMBL4373157 1.00 PTGER4 (0.38) PTGER4PTGER3PTGER2CHRM2CHRM4
SCHEMBL14277404 0.97 PTGER4 (0.36) PTGER4PTGER3PTGER2CHRM2CHRM4
SCHEMBL4373151 0.91 PTGER4 (0.39) PTGER4PTGER2CHRM2CHRM4CHRM5
SCHEMBL4373158 0.91 PTGER4 (0.39) PTGER4PTGER2CHRM2CHRM4CHRM5
SCHEMBL4373155 0.91 PTGER4 (0.39) PTGER4PTGER2CHRM2CHRM4CHRM5
SCHEMBL4389493 0.90 PTGER4 (0.38) PTGER4PTGER2
SCHEMBL4389496 0.90 PTGER4 (0.38) PTGER4PTGER2
SCHEMBL4389499 0.90 PTGER4 (0.38) PTGER4PTGER2
SCHEMBL4375101 0.90 PTGER4 (0.36) PTGER4PTGER3PTGER2CHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-7179820-B2 Piperidinyl prostaglandin E analogs ALLERGAN, INC. (US) 2007-02-20 US 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 18/4885PTGER3 8/4885PTGER2 33/4885
US-20040248854-A1 Piperidinyl prostaglandin E analogs PTGIR, PTGER1, PTGS1 PTGER4 14/4885PTGER3 5/4885PTGER2 10/4885

“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.