SCHEMBL4376256

SCHEMBL4376256

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

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
CAPN1 P07384 1/20 0.34
HCRTR1 O43613 2/20 0.33
HCRTR2 O43614 2/20 0.33
P2RX7 Q99572 3/20 0.33
PTGER4 P35408 2/20 0.33
LMNA P02545 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
HTT P42858 1/20 0.31

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
SCHEMBL4376260 1.00 CHRM2 (0.35) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL14277405 0.97 CHRM2 (0.34) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL4379665 0.91 HCRTR1 (0.35) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL4379670 0.91 HCRTR1 (0.35) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL1376813 0.90 P2RX7 (0.37) P2RX7PTGER4
SCHEMBL4376526 0.90 P2RX7 (0.37) P2RX7PTGER4
SCHEMBL5762200 0.84 PTGER4 (0.39) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL13406640 0.84 FAAH (0.33) LMNAL3MBTL1HTT
SCHEMBL5762444 0.84 HCRTR1 (0.35) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL4384064 0.83 PTGER3 (0.42) PTGER4

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 7 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
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
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 CHRM2 303/4885CHRM4 946/4885CHRM5 683/4885
US-20040248854-A1 Piperidinyl prostaglandin E analogs PTGIR, PTGER1, PTGS1 CHRM2 861/4885CHRM4 2032/4885CHRM5 894/4885

“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.