SCHEMBL962126

SCHEMBL962126

CNC(=O)N(C)C1CCCNC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 2/20 0.39
SLC6A11 P48066 1/20 0.39
TSHR P16473 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SLC6A13 Q9NSD5 1/20 0.39
ATM Q13315 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP2D6 P10635 1/20 0.38
SLC6A4 P31645 8/20 0.37
SLC6A2 P23975 7/20 0.37
KCNH2 Q12809 2/20 0.37
PAK4 O96013 1/20 0.34
SLC6A3 Q01959 3/20 0.33
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
ABCC1 P33527 1/20 0.33

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
SCHEMBL31607256 0.81 SLC6A2 (0.41) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL969177 0.81 ATM (0.49) TSHRSMN1; SMN2ATMKMT2AKCNH2
SCHEMBL4017478 0.80 SLC6A1 (0.47) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL477375 0.80 SLC6A1 (0.47) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL1005036 0.80 SLC6A1 (0.42) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL25222580 0.80 SLC6A1 (0.47) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL7665473 0.80 SLC6A1 (0.42) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL965799 0.79 ATM (0.51) TSHRSMN1; SMN2ATMKMT2AKCNH2
Hydrochloric Acid SCHEMBL4021040 0.79 SLC6A1 (0.46) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL27212127 0.79 SLC6A4 (0.44) SLC6A1SLC6A11TSHRLMNASMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7875629-B2 minimal side effects, improved selectivity, potency, pharmacokinetics, and/or duration of action; 1-isopropyl-2-oxo-1,2-dihydroquinoline-3-carboxylic acid {(1S,3R,5R)-8-[3-(4-methanesulfonylpiperazine-1-sulfonyl)propyl]-8-azabicyclo[3.2.1]oct-3-yl}amide; reduced motility of the gastrointestinal tract THERAVANCE, INC. (US) 2011-01-25 US disclosed
US-20090036483-A1 QUINOLINONE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS THERAVANCE BIOPHARMA R&D IP, LLC 2009-02-05 US disclosed
CN-101163701-A Quinolinone compounds as 5-HT 4 receptor agonists THERAVANCE INC (US) 2008-04-16 CN disclosed
CN-101080406-A Indazole-carboxamide compounds THERAVANCE INC (US) 2007-11-28 CN 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-20090036483-A1 QUINOLINONE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS HTR4, HTR5A, HTR1A SLC6A1 1160/4885SLC6A11 1591/4885TSHR 331/4885

“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.