SCHEMBL2013588

SCHEMBL2013588

Cc1cccc2c1cc(C(=O)NCC1CCN(C(C)C3(O)CCOCC3)CC1)c(=O)n2C(C)C

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 14/20 0.48
KCNH2 Q12809 1/20 0.43
IL1B P01584 3/20 0.37
P2RX7 Q99572 3/20 0.37
CNR2 P34972 1/20 0.37
F10 P00742 1/20 0.37
HTR2A P28223 1/20 0.36
ROCK2 O75116 1/20 0.36

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
Hydrochloric Acid SCHEMBL2008920 0.99 HTR4 (0.47) HTR4KCNH2IL1BP2RX7CNR2
SCHEMBL2334655 0.87 HTR4 (0.61) HTR4KCNH2IL1BP2RX7
SCHEMBL12572553 0.86 HTR4 (0.57) HTR4KCNH2F10HTR2AROCK2
SCHEMBL2010755 0.85 HTR4 (0.49) HTR4KCNH2IL1BP2RX7F10
Hydrochloric Acid SCHEMBL2012830 0.84 HTR4 (0.48) HTR4KCNH2IL1BP2RX7F10
SCHEMBL2006462 0.83 HTR4 (0.54) HTR4KCNH2F10HTR2AROCK2
SCHEMBL8287322 0.82 HTR4 (0.53) HTR4KCNH2F10HTR2AROCK2
Hydrochloric Acid SCHEMBL2009356 0.82 HTR4 (0.53) HTR4KCNH2F10HTR2AROCK2
SCHEMBL2015701 0.82 HTR4 (0.44) HTR4KCNH2IL1BP2RX7F10
SCHEMBL2012658 0.81 HTR4 (0.55) HTR4KCNH2F10HTR2A

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 9 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
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
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
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
US-20080255113-A1 Quinolonecarboxylic Acid Compounds Having 5-Ht4 Receptor Agonistic Activity KATO TOMOKI 2008-10-16 US disclosed
US-20080255113-A1 Quinolonecarboxylic Acid Compounds Having 5-Ht4 Receptor Agonistic Activity KATO TOMOKI 2008-10-16 US 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 1/4885KCNH2 1770/4885IL1B 2612/4885

“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.