SCHEMBL1182205

SCHEMBL1182205

O=C(O)c1ccccc1CNC1CCNCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.51
SLC6A4 P31645 2/20 0.51
SLC6A3 Q01959 2/20 0.51
SOS1 Q07889 1/20 0.46
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HIF1A Q16665 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
FOLH1 Q04609 1/20 0.41
BRD4 O60885 1/20 0.41
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
BACE1 P56817 1/20 0.40
KDM1A O60341 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.38
GRIK1 P39086 2/20 0.38

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
SCHEMBL791741 0.82 VEGFA (0.50) ALDH1A1KDM4EMEN1KMT2AHIF1A
SCHEMBL14498226 0.77 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3SOS1ALDH1A1
Trifluoroacetic Acid SCHEMBL5037785 0.77 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3SOS1ALDH1A1
SCHEMBL2779198 0.75 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3SOS1ALDH1A1
SCHEMBL14044360 0.75 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3SOS1ALDH1A1
SCHEMBL27978884 0.75 SLC6A4 (0.52) SLC6A2SLC6A4SLC6A3SOS1MEN1
SCHEMBL70402 0.75 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3SOS1ALDH1A1
SCHEMBL14434127 0.75 KDM4E (0.41) SLC6A2SLC6A4SLC6A3SOS1ALDH1A1
SCHEMBL13476626 0.75 ALDH1A1 (0.43) ALDH1A1KDM4EMEN1KMT2AHIF1A
SCHEMBL21088501 0.74 KDM1A (0.40) ALDH1A1KDM4EMEN1KMT2AHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110172270-A1 2-'4(PHENYLAMINO)-PIPERIDIN-1-YL!-N-PHENYL-ACETAMINE DERIVATIVES AND RELATED COMPOUNDS AS NEUROPEPTIDE Y5 (NPY5) LIGANDS FOR THE TREATMENT OF OBESITY LABORATORIOS DEL DR. ESTEVE S.A (ES) 2011-07-14 US disclosed
US-7888510-B2 1,4-disubstituted piperidine compounds like N-(9-Ethyl-9H-carbazol-3-yl)-2-[4-(2-hydroxymethyl-6-methyl-phenylamino)-piperidine-yl]acetamide; chloroacetyl chloride is reacted with respective compounds in the presence of dichloromethane and triethylamine or diisopropylethylamine LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2011-02-15 US disclosed
EP-1660131-B1 ACTIVE SUBSTANCE COMBINATION COMPRISING A COMPOUND WITH NPY RECEPTOR AFFINITY AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY ESTEVE LABOR DR (ES) 2009-06-24 EP disclosed
US-20080119516-A1 2-'4(Phenylamino)-Piperidin-1-Yl!-N-Phenyl-Acetamine Derivatives and Related Compounds as Neuropeptide Y5 (NPY5) Ligands for the Treatment of Obesity LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2008-05-22 US disclosed
US-20070009597-A1 Active substance combination comprising a compound with npy receptor affinity and a compound with 5-ht6 receptor affinity LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2007-01-11 US disclosed
EP-1648458-B1 2-[4(PHENYLAMINO)-PIPERIDIN-1-YL]-N-PHENYL-ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS NEUROPEPTIDE Y5 (NPY5) LIGANDS FOR THE TREATEMENT OF OBESITY ESTEVE LABOR DR (ES) 2006-12-20 EP disclosed
EP-1660131-A1 ACTIVE SUBSTANCE COMBINATION COMPRISING A COMPOUND WITH NPY RECEPTOR AFFINITY AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-05-31 EP disclosed
EP-1648458-A1 2-'4(PHENYLAMINO)-PIPERIDIN-1-YL]-N-PHENYL-ACETAMINE DERIVTIVES AND RELATED COMPOUNDS AS NEUROPEPTIDE Y5 (NPY5) LIGANDS FOR THE TREATEMENT OF OBESITY LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-04-26 EP disclosed
WO-2005013988-A1 2-`4(PHENYLAMINO)-PIPERIDIN-1-YL!-N-PHENYL-ACETAMINE DERIVATIVES AND RELATED COMPOUNDS AS NEUROPEPTIDE Y5 (NPY5) LIGANDS FOR THE TREATEMENT OF OBESITY LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2005-02-17 WO disclosed
WO-2005014045-A1 ACTIVE SUBSTANCE COMBINATION COMPRISING A COMPOUND WITH NPY RECEPTOR AFFINITY AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY LABORATORIOS DEL DR. ESTEVE S.A. (DE) 2005-02-17 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 (3 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-20080119516-A1 2-'4(Phenylamino)-Piperidin-1-Yl!-N-Phenyl-Acetamine Derivatives and Related Compounds as Neuropeptide Y5 (NPY5) Ligands for the Treatment of Obesity NPY5R, NPY1R, NPY4R SLC6A2 1627/4885SLC6A4 939/4885SLC6A3 3137/4885
US-20070009597-A1 Active substance combination comprising a compound with npy receptor affinity and a compound with 5-ht6 receptor affinity NPY5R, HTR6, NPY2R SLC6A2 125/4885SLC6A4 48/4885SLC6A3 144/4885
US-20110172270-A1 2-'4(PHENYLAMINO)-PIPERIDIN-1-YL!-N-PHENYL-ACETAMINE DERIVATIVES AND RELATED COMPOUNDS AS NEUROPEPTIDE Y5 (NPY5) LIGANDS FOR THE TREATMENT OF OBESITY NPY5R, NPY1R, NPY4R SLC6A2 1712/4885SLC6A4 965/4885SLC6A3 2868/4885

“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.