SCHEMBL3624032

SCHEMBL3624032

CN(C)c1nsc(N2CCC(C3CCN(c4ccc(C(=O)NC(C)(C)C)c(F)c4)CC3)CC2)n1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 6/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
NR1H2 P55055 3/20 0.35
NR1H3 Q13133 3/20 0.35
NPY5R Q15761 1/20 0.35
MAPT P10636 1/20 0.34
GPR119 Q8TDV5 3/20 0.33
JAK2 O60674 2/20 0.33
NTRK1 P04629 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
HDAC4 P56524 1/20 0.33
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32

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
SCHEMBL3624036 0.89 NR1H2 (0.42) NPC1RAB9ANR1H2NR1H3NPY5R
SCHEMBL3627364 0.88 USP30 (0.42) USP30NPY5RGPR119
SCHEMBL3622590 0.88 SMN1; SMN2 (0.40) USP30NPC1RAB9ANR1H2NR1H3
SCHEMBL10316076 0.87 NR1H2 (0.36) USP30NPC1RAB9ANR1H2NR1H3
SCHEMBL3618339 0.86 NR1H2 (0.42) USP30NR1H2NR1H3NPY5RHCRTR1
SCHEMBL3623772 0.86 USP30 (0.36) USP30NPC1RAB9ANR1H2NR1H3
SCHEMBL3622586 0.85 GPR119 (0.41) NPC1RAB9AMAPTGPR119JAK2
SCHEMBL3615971 0.78 HPGD (0.41) NPC1RAB9ANR1H2NR1H3NPY5R
SCHEMBL3625847 0.77 NR1H2 (0.43) NPC1RAB9ANR1H2NR1H3NPY5R
SCHEMBL10316061 0.77 NR1H2 (0.53) NR1H2NR1H3NPY5R

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 USP30 4472/4885NPC1 1184/4885RAB9A 1063/4885
US-20120178681-A1 BIPIPERIDINYL COMPOUNDS, COMPOSITIONS, CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT GPR119, GPR139, GPR27 USP30 4324/4885NPC1 1296/4885RAB9A 1150/4885

“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.