SCHEMBL3621624

SCHEMBL3621624

CC(C)NC(=O)c1ccc(N2CCC(C3CCN(c4nc(N(C)C)ns4)CC3)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
SMYD3 Q9H7B4 1/20 0.41
MAPT P10636 6/20 0.40
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 3/20 0.40
USP2 O75604 2/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GPR119 Q8TDV5 3/20 0.39
KDM4E B2RXH2 2/20 0.39
CHRM2 P08172 1/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.37
AURKA O14965 1/20 0.37
RAB9A P51151 2/20 0.36
MCL1 Q07820 2/20 0.36
NR4A1 P22736 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL3625686 0.87 SMYD3 (0.47) SMYD3MAPTALDH1A1KMT2AUSP2
SCHEMBL3620264 0.87 ALDH1A1 (0.44) SMN1; SMN2MAPTALDH1A1KMT2AUSP2
SCHEMBL10316071 0.87 SMN1; SMN2 (0.45) SMN1; SMN2MAPTALDH1A1KDM4EHPGD
SCHEMBL3622586 0.86 GPR119 (0.41) SMN1; SMN2MAPTKMT2AUSP2HSD17B10
SCHEMBL3617082 0.85 USP2 (0.53) SMN1; SMN2MAPTUSP2GPR119KDM4E
SCHEMBL3622590 0.85 SMN1; SMN2 (0.40) SMN1; SMN2MAPTRAB9ANPC1HDAC6
SCHEMBL3625847 0.85 NR1H2 (0.43) SMN1; SMN2MAPTKMT2ARAB9AMEN1
SCHEMBL3613974 0.84 GPR119 (0.36) SMN1; SMN2MAPTALDH1A1KMT2AUSP2
SCHEMBL3621442 0.84 LMNA (0.44) SMN1; SMN2ALDH1A1HSD17B10KDM4EHPGD
SCHEMBL3613238 0.84 USP2 (0.40) SMN1; SMN2MAPTALDH1A1USP2ALOX15

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-8445499-B2 Bipiperidinyl compounds, compositions, containing such compounds and methods of treatment MERCK SHARP & DOHME CORP. (US) 2013-05-21 US disclosed
US-8445499-B2 Bipiperidinyl compounds, compositions, containing such compounds and methods of treatment MERCK SHARP & DOHME CORP. (US) 2013-05-21 US disclosed
US-8445499-B2 Bipiperidinyl compounds, compositions, containing such compounds and methods of treatment MERCK SHARP & DOHME CORP. (US) 2013-05-21 US disclosed
US-20120178681-A1 BIPIPERIDINYL COMPOUNDS, COMPOSITIONS, CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK SHARP & DOHME CORP. (US) 2012-07-12 US disclosed
US-20120178681-A1 BIPIPERIDINYL COMPOUNDS, COMPOSITIONS, CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK SHARP & DOHME CORP. (US) 2012-07-12 US disclosed
US-20120178681-A1 BIPIPERIDINYL COMPOUNDS, COMPOSITIONS, CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK SHARP & DOHME CORP. (US) 2012-07-12 US disclosed
US-20100029688-A1 BIPIPERIDINYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK SHARP & DOHME CORP. 2010-02-04 US disclosed
US-20100029688-A1 BIPIPERIDINYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK SHARP & DOHME CORP. 2010-02-04 US disclosed
US-20100029688-A1 BIPIPERIDINYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK SHARP & DOHME CORP. 2010-02-04 US disclosed
WO-2008085316-A1 BIPIPERIDINYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK & CO., INC. (US) 2008-07-17 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 (2 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-20100029688-A1 BIPIPERIDINYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT GPR119, GPR139, GPR27 SMN1; SMN2 2799/4885SMYD3 4865/4885MAPT 3957/4885
US-20120178681-A1 BIPIPERIDINYL COMPOUNDS, COMPOSITIONS, CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT GPR119, GPR139, GPR27 SMN1; SMN2 3170/4885SMYD3 4859/4885MAPT 3863/4885

“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.