SCHEMBL2012658

SCHEMBL2012658

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

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 17/20 0.55
F10 P00742 1/20 0.45
HTR2A P28223 2/20 0.41
HTR7 P34969 1/20 0.41
KCNH2 Q12809 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
SCHEMBL2012321 0.95 HTR4 (0.51) HTR4F10HTR2AHTR7KCNH2
SCHEMBL12572553 0.90 HTR4 (0.57) HTR4F10HTR2AHTR7KCNH2
SCHEMBL2007760 0.89 HTR4 (0.48) HTR4F10HTR2AHTR7KCNH2
SCHEMBL2006462 0.89 HTR4 (0.54) HTR4F10HTR2AHTR7KCNH2
Hydrochloric Acid SCHEMBL2009356 0.88 HTR4 (0.53) HTR4F10HTR2AHTR7KCNH2
SCHEMBL2007530 0.88 KDM4E (0.54) HTR4F10
SCHEMBL2008627 0.87 HTR4 (0.74) HTR4
SCHEMBL8287322 0.86 HTR4 (0.53) HTR4F10HTR2AHTR7KCNH2
Hydrochloric Acid SCHEMBL2006214 0.86 HTR4 (0.72) HTR4
SCHEMBL12630140 0.85 HTR4 (0.52) HTR4HTR2AHTR7KCNH2

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 3 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

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 1/4885F10 1912/4885HTR2A 36/4885

“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.