SCHEMBL3835577

SCHEMBL3835577

CCOC(=O)CNC(c1ccccc1)c1ccc(Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
NPSR1 Q6W5P4 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.53
ADORA3 P0DMS8 1/20 0.52
TDP1 Q9NUW8 2/20 0.48
SLC6A9 P48067 4/20 0.47
SLC6A5 Q9Y345 3/20 0.47
LMNA P02545 2/20 0.47
RECQL P46063 1/20 0.47
PPID Q08752 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MDM4 O15151 1/20 0.44
MAPT P10636 1/20 0.44
MDM2 Q00987 1/20 0.44

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
SCHEMBL7446250 0.91 NPSR1 (0.60) MEN1KMT2ANPSR1SMN1; SMN2ADORA3
Methylene Chloride SCHEMBL28217271 0.90 NPSR1 (0.57) MEN1KMT2ANPSR1SMN1; SMN2ADORA3
SCHEMBL28858391 0.82 ADORA3 (0.56) MEN1KMT2ANPSR1SMN1; SMN2ADORA3
SCHEMBL28514782 0.81 NPSR1 (0.54) MEN1KMT2ANPSR1SMN1; SMN2ADORA3
SCHEMBL9853045 0.81 MEN1 (0.56) MEN1KMT2ATDP1SLC6A9SLC6A5
SCHEMBL25297216 0.78 APAF1 (0.53) MEN1KMT2ANPSR1SMN1; SMN2ADORA3
SCHEMBL25831273 0.78 APAF1 (0.53) MEN1KMT2ANPSR1SMN1; SMN2ADORA3
SCHEMBL9358683 0.77 NPSR1 (0.45) MEN1KMT2ANPSR1SMN1; SMN2ADORA3
SCHEMBL4679533 0.77 KMT2A (0.55) MEN1KMT2ASMN1; SMN2TDP1LMNA
SCHEMBL7111411 0.77 TOP2A (0.55) NPSR1SMN1; SMN2LMNAKDM4EMDM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2104677-B1 SPIROPIPERIDINE GLYCINAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-12-07 EP disclosed
EP-2104677-B1 SPIROPIPERIDINE GLYCINAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-12-07 EP disclosed
EP-2104677-A1 SPIROPIPERIDINE GLYCINAMIDE DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-09-30 EP disclosed
US-7498339-B2 Spiropiperidine glycinamide derivatives HOFFMAN-LA ROCHE INC. (US) 2009-03-03 US disclosed
US-7498339-B2 Spiropiperidine glycinamide derivatives HOFFMAN-LA ROCHE INC. (US) 2009-03-03 US disclosed
US-7498339-B2 Spiropiperidine glycinamide derivatives HOFFMAN-LA ROCHE INC. (US) 2009-03-03 US disclosed
US-20080194610-A1 SPIROPIPERIDINE GLYCINAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-08-14 US disclosed
US-20080194610-A1 SPIROPIPERIDINE GLYCINAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-08-14 US disclosed
US-20080194610-A1 SPIROPIPERIDINE GLYCINAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-08-14 US disclosed
WO-2008084005-A1 SPIROPIPERIDINE GLYCINAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-07-17 WO disclosed
WO-2008084005-A1 SPIROPIPERIDINE GLYCINAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-07-17 WO disclosed
US-20080171759-A1 SPIROPIPERIDINE GLYCINAMIDE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2008-07-17 US disclosed
US-20080171759-A1 SPIROPIPERIDINE GLYCINAMIDE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2008-07-17 US disclosed
US-20080171759-A1 SPIROPIPERIDINE GLYCINAMIDE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2008-07-17 US disclosed
US-20080171760-A1 e.g. N-[(4-Chlorophenyl)(phenyl)methyl]-2-oxo-2-(1'H,3H-spiro[2-indane-1,4'-piperidin]-1'-yl)ethanamine; vasopressin V1a receptor antagonist; antidepressant, anxiolytic, hypotensive agent; dysmenorrhea, chronic heart failure, liver cirrhosis, nephrotic syndrome, obsessive compulsive disorder HOFFMANN-LA ROCHE, INC. 2008-07-17 US disclosed
US-20080171760-A1 e.g. N-[(4-Chlorophenyl)(phenyl)methyl]-2-oxo-2-(1'H,3H-spiro[2-indane-1,4'-piperidin]-1'-yl)ethanamine; vasopressin V1a receptor antagonist; antidepressant, anxiolytic, hypotensive agent; dysmenorrhea, chronic heart failure, liver cirrhosis, nephrotic syndrome, obsessive compulsive disorder HOFFMANN-LA ROCHE, INC. 2008-07-17 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-20080194610-A1 SPIROPIPERIDINE GLYCINAMIDE DERIVATIVES AVPR1A, AVPR1B, GLRA1 MEN1 1334/4885KMT2A 1480/4885NPSR1 23/4885
US-20080171760-A1 e.g. N-[(4-Chlorophenyl)(phenyl)methyl]-2-oxo-2-(1'H,3H-spiro[2-indane-1,4'-piperidin]-1'-yl)ethanamine; vasopressin V1a receptor antagonist; antidepressant, anxiolytic, hypotensive agent; dysmenorrhea, chronic heart failure, liver cirrhosis, nephrotic syndrome, obsessive compulsive disorder AVPR1A, AVPR2, AVPR1B MEN1 1780/4885KMT2A 2040/4885NPSR1 12/4885
US-20080171759-A1 SPIROPIPERIDINE GLYCINAMIDE DERIVATIVES AVPR1A, AVPR1B, GLRA1 MEN1 1334/4885KMT2A 1480/4885NPSR1 23/4885

“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.