SCHEMBL12415583

SCHEMBL12415583

Cc1ccc(NC2CCNCC2)c(CO)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.40
ATAD2 Q6PL18 2/20 0.40
MEN1 O00255 1/20 0.38
CYP2D6 P10635 1/20 0.38
KMT2A Q03164 1/20 0.38
IRAK4 Q9NWZ3 2/20 0.37
CHRM3 P20309 1/20 0.37
HTR2C P28335 2/20 0.36
CHEK2 O96017 1/20 0.36
KDM1A O60341 1/20 0.36
ITK Q08881 1/20 0.36
DDR1 Q08345 2/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
CHEK1 O14757 1/20 0.34

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
SCHEMBL83376 0.80 BRD4 (0.48) BRD4ATAD2MEN1CYP2D6KMT2A
Hydrochloric Acid SCHEMBL69073 0.78 BRD4 (0.47) BRD4ATAD2MEN1CYP2D6KMT2A
SCHEMBL13419405 0.77 BRD4 (0.43) BRD4ATAD2MEN1CYP2D6KMT2A
SCHEMBL82947 0.76 BRD4 (0.48) BRD4ATAD2MEN1CYP2D6KMT2A
Hydrochloric Acid SCHEMBL69124 0.75 BRD4 (0.47) BRD4ATAD2MEN1CYP2D6KMT2A
SCHEMBL6709573 0.74 TSHR (0.41) BRD4ATAD2MEN1KMT2AIRAK4
SCHEMBL22542015 0.74 HTR2C (0.50) MEN1CYP2D6KMT2AHTR2CSLC6A2
SCHEMBL427843 0.72 BRD4 (0.41) BRD4ATAD2MEN1CYP2D6KMT2A
SCHEMBL13809337 0.72 ALDH1A1 (0.57) MEN1KMT2A
Bromide SCHEMBL11023029 0.70 HCAR3 (0.52) MEN1CYP2D6KMT2A

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 9 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-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
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-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
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

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 BRD4 1090/4885ATAD2 1272/4885MEN1 1541/4885
US-20070009597-A1 Active substance combination comprising a compound with npy receptor affinity and a compound with 5-ht6 receptor affinity NPY5R, HTR6, NPY2R BRD4 1757/4885ATAD2 4385/4885MEN1 1861/4885
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 BRD4 1279/4885ATAD2 1582/4885MEN1 1339/4885

“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.