SCHEMBL4389232

SCHEMBL4389232

CCOC(=O)COCC=CCN1C(=O)CCC[C@@H]1CO

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 4/20 0.33
NPC1 O15118 1/20 0.33
ABL1 P00519 1/20 0.33
RIN1 Q13671 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HRH3 Q9Y5N1 1/20 0.31
CYP2D6 P10635 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
GAA P10253 1/20 0.30
TSHR P16473 1/20 0.30
MEN1 O00255 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL4389227 1.00 KMT2A (0.38) KMT2AALDH1A1NPC1ABL1RIN1
SCHEMBL4389223 1.00 KMT2A (0.38) KMT2AALDH1A1NPC1ABL1RIN1
SCHEMBL5215716 0.93 KMT2A (0.37) KMT2AALDH1A1ABL1RIN1TDP1
SCHEMBL5213009 0.93 KMT2A (0.37) KMT2AALDH1A1ABL1RIN1TDP1
SCHEMBL5213001 0.93 KMT2A (0.37) KMT2AALDH1A1ABL1RIN1TDP1
SCHEMBL4373293 0.89 TP53 (0.30)
SCHEMBL4373300 0.89 TP53 (0.30)
SCHEMBL4373298 0.89 TP53 (0.30)
Water SCHEMBL5249964 0.87 ALDH1A1 (0.39) KMT2AALDH1A1L3MBTL1GAATSHR
Water SCHEMBL5249960 0.87 ALDH1A1 (0.39) KMT2AALDH1A1L3MBTL1GAATSHR

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 4036/4885ALDH1A1 569/4885NPC1 3112/4885
US-20050171062-A1 Treatment of inflammatory bowel disease SLC10A2, GUCY1B1, PTGER1 KMT2A 4220/4885ALDH1A1 594/4885NPC1 1252/4885
US-20040248854-A1 Piperidinyl prostaglandin E analogs PTGIR, PTGER1, PTGS1 KMT2A 4030/4885ALDH1A1 273/4885NPC1 2717/4885

“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.