SCHEMBL4373362

SCHEMBL4373362

COC(=O)C(CCC#CCN1C(=O)CCCC1C=CC(=O)Cc1ccccc1)N1C(=O)CCCC1C=CC(=O)Cc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 14/20 0.38
CAPN1 P07384 1/20 0.35
HCRTR1 O43613 2/20 0.33
HCRTR2 O43614 2/20 0.33
PTGER3 P43115 2/20 0.32
PTGER2 P43116 2/20 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
SCHEMBL4378130 0.86 PTGER4 (0.51) PTGER4PTGER3PTGER2
SCHEMBL4383529 0.85 PTGER4 (0.47) PTGER4PTGER3PTGER2
SCHEMBL4377056 0.82 PTGER4 (0.42) PTGER4HCRTR1HCRTR2PTGER3PTGER2
SCHEMBL4375613 0.82 PTGER4 (0.42) PTGER4HCRTR1HCRTR2PTGER3PTGER2
SCHEMBL4377060 0.82 PTGER4 (0.42) PTGER4HCRTR1HCRTR2PTGER3PTGER2
SCHEMBL4373363 0.82 PTGER4 (0.42) PTGER4HCRTR1HCRTR2PTGER3PTGER2
SCHEMBL5790673 0.80 PTGER4 (0.45) PTGER4PTGER3PTGER2
SCHEMBL5790668 0.80 PTGER4 (0.45) PTGER4PTGER3PTGER2
SCHEMBL14277444 0.80 PTGER4 (0.42) PTGER4PTGER3PTGER2
SCHEMBL4384212 0.79 PTGER4 (0.44) PTGER4PTGER3PTGER2

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
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
US-6747037-B1 TREATING OCULAR HYPERTENSION OR GLAUCOMA; REDUCED SIDE EFFECTS ALLERGAN, INC. 2004-06-08 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 18/4885CAPN1 3708/4885HCRTR1 1008/4885
US-20040248854-A1 Piperidinyl prostaglandin E analogs PTGIR, PTGER1, PTGS1 PTGER4 14/4885CAPN1 1624/4885HCRTR1 1222/4885

“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.