SCHEMBL4374735

SCHEMBL4374735

CCOC(=O)COCCCCN1C(=O)CCCC1CO

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.40
PTGER4 P35408 6/20 0.39
HRH3 Q9Y5N1 1/20 0.34
TSHR P16473 1/20 0.34
HRH1 P35367 1/20 0.34
PTGER3 P43115 3/20 0.33
PTGER2 P43116 3/20 0.33
ALDH1A1 P00352 3/20 0.32
CYP2D6 P10635 1/20 0.32
USP2 O75604 1/20 0.32
NPC1 O15118 1/20 0.32
ABL1 P00519 1/20 0.32
RIN1 Q13671 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KCNH2 Q12809 1/20 0.30

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
SCHEMBL4374730 1.00 KMT2A (0.40) KMT2APTGER4HRH3TSHRHRH1
SCHEMBL4375203 0.88 PTGER4 (0.38) KMT2APTGER4TSHRPTGER3PTGER2
SCHEMBL4375210 0.88 PTGER4 (0.38) KMT2APTGER4TSHRPTGER3PTGER2
SCHEMBL5766710 0.87 PTGER4 (0.37) KMT2APTGER4TSHRPTGER3PTGER2
SCHEMBL4683709 0.84 PTGER4 (0.45) KMT2APTGER4HRH3TSHRHRH1
SCHEMBL4383134 0.84 PTGER4 (0.45) KMT2APTGER4HRH3TSHRHRH1
SCHEMBL1074993 0.81 PTGER4 (0.41) KMT2APTGER4PTGER3PTGER2ALDH1A1
SCHEMBL1074995 0.81 PTGER4 (0.41) KMT2APTGER4PTGER3PTGER2ALDH1A1
SCHEMBL4389223 0.80 KMT2A (0.38) KMT2AHRH3TSHRALDH1A1CYP2D6
SCHEMBL4389232 0.80 KMT2A (0.38) KMT2AHRH3TSHRALDH1A1CYP2D6

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 11 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
EP-1722795-B1 PIPERIDINYL PROSTAGLANDIN E ANALOGS ALLERGAN INC (US) 2008-05-07 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-6977260-B2 administering to an animal having ocular hypertension a piperidynly analog; a container adapted to dispense the ophthalmic solution in a metered form ALLERGAN, INC. (US) 2005-12-20 US disclosed
US-20050171062-A1 Treatment of inflammatory bowel disease ALLERGAN, INC. (US) 2005-08-04 US disclosed
US-20050164990-A1 PIPERIDINYL PROSTAGLANDIN E ANALOGS ALLERGAN, INC. 2005-07-28 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 (3 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-20050164990-A1 PIPERIDINYL PROSTAGLANDIN E ANALOGS PTGIR, PTGDR, PTGER1 KMT2A 4036/4885PTGER4 12/4885HRH3 731/4885
US-20050171062-A1 Treatment of inflammatory bowel disease SLC10A2, GUCY1B1, PTGER1 KMT2A 4220/4885PTGER4 18/4885HRH3 770/4885
US-20040248854-A1 Piperidinyl prostaglandin E analogs PTGIR, PTGER1, PTGS1 KMT2A 4030/4885PTGER4 14/4885HRH3 1578/4885

“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.