SCHEMBL4484399

SCHEMBL4484399

O=C(O)N1CCC(O)C(NCc2ccccc2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
DRD4 P21917 1/20 0.45
HTR1A P08908 1/20 0.43
HTR1B P28222 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
BCHE P06276 2/20 0.43
ACHE P22303 2/20 0.43
BACE1 P56817 2/20 0.43
FUCA1 P04066 1/20 0.43
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
GRIN2B Q13224 1/20 0.41
KDM1A O60341 1/20 0.41
MAOA P21397 1/20 0.41
TACR3 P29371 1/20 0.41

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
SCHEMBL4484395 1.00 NPSR1 (0.46) NPSR1KMT2AMEN1DRD4HTR1A
SCHEMBL7017524 0.89 NPSR1 (0.46) NPSR1KMT2AMEN1DRD4HTR1A
SCHEMBL4481162 0.89 NPSR1 (0.46) NPSR1KMT2AMEN1DRD4HTR1A
SCHEMBL4481166 0.89 NPSR1 (0.46) NPSR1KMT2AMEN1DRD4HTR1A
SCHEMBL9531494 0.89 NPSR1 (0.46) NPSR1KMT2AMEN1DRD4HTR1A
SCHEMBL9790091 0.89 NPSR1 (0.46) NPSR1KMT2AMEN1DRD4HTR1A
Hydrochloric Acid SCHEMBL10690431 0.88 NPSR1 (0.45) NPSR1KMT2AMEN1DRD4HTR1A
Hydrochloric Acid SCHEMBL10690440 0.88 NPSR1 (0.45) NPSR1KMT2AMEN1DRD4HTR1A
Hydrochloric Acid SCHEMBL10690436 0.88 NPSR1 (0.45) NPSR1KMT2AMEN1DRD4HTR1A
Hydrochloric Acid SCHEMBL9790154 0.88 NPSR1 (0.45) NPSR1KMT2AMEN1DRD4HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105073746-B Substituted imidazopyridines as HDM2 inhibitors 默沙东公司 2017-03-22 CN disclosed
CN-105073746-A Substituted imidazopyridines as HDM2 inhibitors MERCK SHARP & DOHME 2015-11-18 CN disclosed
US-7498326-B2 Compounds GLAXO GROUP LIMITED (GB) 2009-03-03 US disclosed
EP-1359908-B1 QUINOLINES AND NITROGENATED DERIVATIVES THEREOF SUBSTITUTED IN 4-POSITION BY A PIPERIDINE-CONTAINING MOIETY AND THEIR USE AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2007-08-22 EP disclosed
US-7205408-B2 Quinolines and nitrogenated derivative thereof substituted in 4-position by a piperidine-containing moiety and their use as antibacterial agents SMITHKLINE BEECHAM, P.L.C. (GB) 2007-04-17 US disclosed
US-20060058287-A1 Gramnegative and Grampositive bacterial infections; substituted Piperidine derivatives specially optionally substituted pyrido [3,2, -b][1,4] thiazin-yl; 6-({(3R,4S)-3-Fluoro-1-[(R)-2-hydroxy-2-(2-methoxy-quinolin-8-yl)-ethyl]-piperidin-4-ylamino }-methyl)-4H-pyrido[3,2-b][1,4]thiazin-3-one; nontoxic GLAXO GROUP LIMITED (GB) 2006-03-16 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-20060058287-A1 Gramnegative and Grampositive bacterial infections; substituted Piperidine derivatives specially optionally substituted pyrido [3,2, -b][1,4] thiazin-yl; 6-({(3R,4S)-3-Fluoro-1-[(R)-2-hydroxy-2-(2-methoxy-quinolin-8-yl)-ethyl]-piperidin-4-ylamino }-methyl)-4H-pyrido[3,2-b][1,4]thiazin-3-one; nontoxic TLR1, TLR2, TLR6 NPSR1 3341/4885KMT2A 1177/4885MEN1 3625/4885

“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.