SCHEMBL2009844

SCHEMBL2009844

Cc1cccc(NC(C)C)c1C=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
IDO1 P14902 1/20 0.37
ALDH1A1 P00352 3/20 0.36
TSHR P16473 1/20 0.36
ELANE P08246 2/20 0.36
CTRB1 P17538 1/20 0.36
TDP1 Q9NUW8 3/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
NR4A2 P43354 1/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 1/20 0.33
RECQL P46063 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HPGD P15428 2/20 0.32
LMNA P02545 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL2013425 0.80 MEN1 (0.55) ALDH1A1TDP1MEN1KMT2ANPC1
SCHEMBL2008640 0.80 PSIP1 (0.36) ALDH1A1MEN1KMT2ALMNACYP2C9
SCHEMBL28299609 0.79 KEAP1 (0.41) KEAP1NFE2L2ALDH1A1TSHRTDP1
SCHEMBL66979 0.75 ALDH1A1 (0.52) KEAP1NFE2L2ALDH1A1TSHRTDP1
SCHEMBL31633461 0.74 KEAP1 (0.65) KEAP1NFE2L2ALDH1A1KMT2AKDM4E
SCHEMBL10393919 0.74 KEAP1 (0.48) KEAP1NFE2L2ALDH1A1TSHRTDP1
SCHEMBL4750832 0.73 MAPT (0.50) IDO1ALDH1A1TSHRTDP1KMT2A
SCHEMBL30461968 0.73 MAPT (0.50) IDO1ALDH1A1TSHRTDP1KMT2A
SCHEMBL28641344 0.73 ALDH1A1 (0.50) KEAP1NFE2L2ALDH1A1TSHRTDP1
SCHEMBL964992 0.72 LMNA (0.50) IDO1ALDH1A1TSHRELANETDP1

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
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
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
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 KEAP1 1282/4885NFE2L2 1832/4885IDO1 517/4885

“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.