SCHEMBL4376526

SCHEMBL4376526

O=C(O)COCC#CCN1C(=O)CCCC1CCC(=O)Cc1cccc(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 4/20 0.37
PTGER4 P35408 3/20 0.35
EPHX2 P34913 1/20 0.35
SIGMAR1 Q99720 1/20 0.34
PTGER2 P43116 1/20 0.34
THRB P10828 1/20 0.33
HPGD P15428 1/20 0.33
POLB P06746 1/20 0.33
FFAR1 O14842 1/20 0.33
PTGIR P43119 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
SCHEMBL1376813 1.00 P2RX7 (0.37) P2RX7PTGER4EPHX2SIGMAR1PTGER2
SCHEMBL1376751 0.91 P2RX7 (0.38) P2RX7PTGER4EPHX2SIGMAR1THRB
SCHEMBL4381028 0.91 P2RX7 (0.38) P2RX7PTGER4EPHX2SIGMAR1THRB
SCHEMBL4376260 0.90 CHRM2 (0.35) P2RX7PTGER4
SCHEMBL4376256 0.90 CHRM2 (0.35) P2RX7PTGER4
SCHEMBL14277405 0.88 CHRM2 (0.34) PTGER4
SCHEMBL4377884 0.85 PTGER3 (0.44) PTGER4PTGER2
SCHEMBL4377882 0.85 PTGER3 (0.44) PTGER4PTGER2
SCHEMBL4377888 0.85 PTGER3 (0.44) PTGER4PTGER2
SCHEMBL4379670 0.82 HCRTR1 (0.35) P2RX7PTGER4

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 P2RX7 1124/4885PTGER4 18/4885EPHX2 293/4885
US-20040248854-A1 Piperidinyl prostaglandin E analogs PTGIR, PTGER1, PTGS1 P2RX7 184/4885PTGER4 14/4885EPHX2 125/4885

“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.