Sugi Predict

Sugi Predict / Compounds / SCHEMBL10316059

SCHEMBL10316059

SCHEMBL10316059

CCc1ccc(N2CCC(C3CCN(c4nc(N(C)C)ns4)CC3)CC2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ TP53 P04637 2/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ CHIT1 Q13231 1/20 0.34
▸ CHIA Q9BZP6 1/20 0.34
▸ MAPT P10636 8/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ HSP90AB1 P08238 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ ALOX12 P18054 1/20 0.33

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
SCHEMBL10316068 0.91 L3MBTL3 (0.35) SMN1; SMN2TP53HRH3L3MBTL1RAB9A
SCHEMBL10316060 0.89 TPSAB1 (0.35) SMN1; SMN2HRH3L3MBTL1L3MBTL3GPR119
SCHEMBL10316070 0.87 MCHR1 (0.37) TP53HRH3L3MBTL1ALDH1A1L3MBTL3
SCHEMBL14138659 0.86 GPR119 (0.43) SMN1; SMN2HRH3L3MBTL1NPC1RAB9A
SCHEMBL3624214 0.85 GPR119 (0.38) GPR119
SCHEMBL10316066 0.84 HRH3 (0.34) HRH3GPR119
SCHEMBL10316065 0.84 GPR119 (0.36) SMN1; SMN2TP53HRH3CHIAMAPT
SCHEMBL3613106 0.84 GPR119 (0.41) SMN1; SMN2KDM4EGPR119
SCHEMBL10316069 0.82 SMN1; SMN2 (0.30) SMN1; SMN2TP53MAPT
SCHEMBL10316062 0.82 L3MBTL1 (0.38) SMN1; SMN2L3MBTL1CHIT1CHIAMAPT

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 3 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-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

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 2799/4885TP53 3820/4885HRH3 740/4885
US-20120178681-A1 BIPIPERIDINYL COMPOUNDS, COMPOSITIONS, CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT GPR119, GPR139, GPR27 SMN1; SMN2 3170/4885TP53 3721/4885HRH3 721/4885

“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.