SCHEMBL2010888

SCHEMBL2010888

Cc1cccc2c1cc(C(=O)NCC1CCN(C(C)C(=O)OC(C)(C)C)CC1)c(=O)n2C(C)C

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 6/20 0.49
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40
ROCK2 O75116 1/20 0.39
ACACB O00763 6/20 0.38
ACACA Q13085 6/20 0.38
HTR7 P34969 2/20 0.38
F10 P00742 1/20 0.38
IL1B P01584 3/20 0.37
P2RX7 Q99572 3/20 0.37

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
SCHEMBL2013753 0.89 HTR4 (0.45) HTR4KDM4EPKMROCK2ACACB
SCHEMBL2007530 0.88 KDM4E (0.54) HTR4KDM4EPKMF10IL1B
SCHEMBL2006462 0.88 HTR4 (0.54) HTR4ROCK2HTR7F10
SCHEMBL12572553 0.88 HTR4 (0.57) HTR4ROCK2HTR7F10
Hydrochloric Acid SCHEMBL2009356 0.87 HTR4 (0.53) HTR4ROCK2HTR7F10
SCHEMBL8287647 0.84 KDM4E (0.49) HTR4KDM4EPKMIL1BP2RX7
SCHEMBL8287322 0.84 HTR4 (0.53) HTR4ROCK2HTR7F10
SCHEMBL2010755 0.83 HTR4 (0.49) HTR4ROCK2F10IL1BP2RX7
SCHEMBL2012658 0.83 HTR4 (0.55) HTR4HTR7F10
Hydrochloric Acid SCHEMBL2012830 0.82 HTR4 (0.48) HTR4ROCK2F10IL1BP2RX7

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
US-7964727-B2 N-({1-[(cis-1,4-dihydroxycyclohexyl)methyl]piperidin-4-yl}methyl)-1-isopropyl-5-methyl-2-oxo-1, 2-dihydroquinoline-3-carboxamide ethanedioate; gastroesophageal reflux disease, non-ulcer dyspepsia, functional dyspepsia, irritable bowel syndrome PFIZER INC. (US) 2011-06-21 US disclosed
EP-1689742-B1 QUINOLONECARBOXYLIC ACID COMPOUNDS HAVING 5-HT4 RECEPTOR AGONISTIC ACTIVITY PFIZER (US) 2010-03-17 EP disclosed
US-20080255113-A1 Quinolonecarboxylic Acid Compounds Having 5-Ht4 Receptor Agonistic Activity KATO TOMOKI 2008-10-16 US disclosed
EP-1689742-A1 QUINOLONECARBOXYLIC ACID COMPOUNDS HAVING 5-HT4 RECEPTOR AGONISTIC ACTIVITY Pfizer, Inc. (US) 2006-08-16 EP disclosed
WO-2005049608-A1 QUINOLONECARBOXYLIC ACID COMPOUNDS HAVING 5-HT4 RECEPTOR AGONISTIC ACTIVITY PFIZER JAPAN, INC. (JP) 2005-06-02 WO 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 (1 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-20080255113-A1 Quinolonecarboxylic Acid Compounds Having 5-Ht4 Receptor Agonistic Activity HTR4, HRH4, HRH2 HTR4 1/4885KDM4E 2152/4885PKM 4717/4885

“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.