SCHEMBL3625847

SCHEMBL3625847

CC(C)NC(=O)c1ccc(N2CCC(C3CCN(c4nc(N(C)C)ns4)CC3)CC2)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 3/20 0.43
NR1H3 Q13133 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.40
AVPR2 P30518 2/20 0.38
AVPR1A P37288 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
RAB9A P51151 4/20 0.36
MAPT P10636 3/20 0.36
GAA P10253 1/20 0.36
TRPV4 Q9HBA0 5/20 0.35
NPC1 O15118 2/20 0.35
NPY5R Q15761 1/20 0.35
ACACB O00763 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
SCHEMBL3622590 0.89 SMN1; SMN2 (0.40) NR1H2NR1H3SMN1; SMN2RAB9AMAPT
SCHEMBL3615971 0.88 HPGD (0.41) NR1H2NR1H3MEN1KMT2ARAB9A
SCHEMBL3624036 0.88 NR1H2 (0.42) NR1H2NR1H3MEN1KMT2AATM
SCHEMBL10316061 0.86 NR1H2 (0.53) NR1H2NR1H3SMN1; SMN2AVPR2MEN1
SCHEMBL3621624 0.85 SMN1; SMN2 (0.48) SMN1; SMN2MEN1KMT2ARAB9AMAPT
SCHEMBL3620956 0.83 ADORA2A (0.44) SMN1; SMN2AVPR2MEN1KMT2ARAB9A
SCHEMBL10316062 0.79 L3MBTL1 (0.38) NR1H2NR1H3SMN1; SMN2MEN1KMT2A
SCHEMBL10316076 0.78 NR1H2 (0.36) NR1H2NR1H3SMN1; SMN2RAB9ANPC1
SCHEMBL3619246 0.78 GPR119 (0.39) SMN1; SMN2MEN1KMT2AMAPTNPY5R
SCHEMBL3627364 0.78 USP30 (0.42) NPY5R

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 NR1H2 184/4885NR1H3 270/4885SMN1; SMN2 2799/4885
US-20120178681-A1 BIPIPERIDINYL COMPOUNDS, COMPOSITIONS, CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT GPR119, GPR139, GPR27 NR1H2 186/4885NR1H3 299/4885SMN1; SMN2 3170/4885

“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.