SCHEMBL2009661

SCHEMBL2009661

Cc1cccc2c1cc(C(=O)NCC1CCN(CC3CCNCC3)CC1)c(=O)n2C(C)C

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 14/20 0.65
CHRM1 P11229 4/20 0.43
HTR3A P46098 3/20 0.43
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM5 P08912 1/20 0.43
CHRM3 P20309 1/20 0.43
IL1B P01584 1/20 0.42
P2RX7 Q99572 1/20 0.42
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
HTR7 P34969 1/20 0.40
KCNH2 Q12809 1/20 0.40
HTR2A P28223 1/20 0.40

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 SCHEMBL2009599 0.99 HTR4 (0.64) HTR4CHRM1HTR3ACHRM2CHRM4
SCHEMBL2008627 0.93 HTR4 (0.74) HTR4CHRM1CHRM2CHRM4CHRM5
Hydrochloric Acid SCHEMBL2006214 0.92 HTR4 (0.72) HTR4CHRM1CHRM2CHRM4CHRM5
SCHEMBL12630140 0.91 HTR4 (0.52) HTR4HTR3ACYP3A4CYP2D6HTR7
SCHEMBL2012321 0.90 HTR4 (0.51) HTR4HTR3ACYP3A4CYP2D6HTR7
SCHEMBL2008689 0.87 HTR4 (0.56) HTR4CHRM1CHRM2CHRM4CHRM5
SCHEMBL12572553 0.86 HTR4 (0.57) HTR4HTR7KCNH2HTR2A
SCHEMBL8287647 0.86 KDM4E (0.49) HTR4HTR3AIL1BP2RX7
SCHEMBL8287653 0.84 HTR4 (0.52) HTR4HTR7
SCHEMBL2012658 0.84 HTR4 (0.55) HTR4HTR7KCNH2HTR2A

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 1/4885CHRM1 170/4885HTR3A 21/4885

“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.