SCHEMBL12539339

SCHEMBL12539339

C[C@@H]1CN(c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C[C@H](C)N1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 1/20 0.42
▸ DGAT1 O75907 2/20 0.39
▸ HSD11B1 P28845 2/20 0.37
▸ GRM1 Q13255 2/20 0.35
▸ PDGFRB P09619 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ LIPG Q9Y5X9 2/20 0.34
▸ LPL P06858 1/20 0.34
▸ P4HB P07237 1/20 0.34
▸ HCAR2 Q8TDS4 1/20 0.34
▸ CHRM2 P08172 1/20 0.33
▸ F2 P00734 1/20 0.33
▸ F11 P03951 1/20 0.33
▸ PRSS1 P07477 1/20 0.33
▸ PRSS2 P07478 1/20 0.33
▸ PRSS3 P35030 1/20 0.33
▸ SMO Q99835 2/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ SORD Q00796 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
SCHEMBL27216131 0.87 USP30 (0.39) USP30DGAT1GRM1PDGFRBKDR
SCHEMBL29972963 0.87 USP30 (0.39) USP30DGAT1GRM1PDGFRBKDR
SCHEMBL20338547 0.87 USP30 (0.41) USP30DGAT1PDGFRBKDRLIPG
SCHEMBL21808532 0.85 GRM1 (0.46) USP30DGAT1GRM1
SCHEMBL21808528 0.85 GRM1 (0.46) USP30DGAT1GRM1
SCHEMBL12541722 0.85 USP30 (0.55) USP30DGAT1HSD11B1
SCHEMBL12541717 0.85 USP30 (0.55) USP30DGAT1HSD11B1
SCHEMBL15372843 0.85 USP30 (0.55) USP30DGAT1HSD11B1
SCHEMBL15648371 0.81 USP30 (0.40) USP30DGAT1LIPGLPLF11
SCHEMBL30589942 0.81 CNR2 (0.44) USP30DGAT1LIPGLPLCNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8906924-B2 (heterocycle/tetrahydropyridine)-(piperazinyl)-1-alcanone and (heterocycle/dihydropyrrolidine)-(piperazinyl)-1-alcanone derivatives, and use thereof as p75 inhibitors SANOFI (FR) 2014-12-09 — — US disclosed
US-20130303520-A1 NOVEL (HETEROCYCLE/TETRAHYDROPYRIDINE)-(PIPERAZINYL)-1-ALCANONE AND (HETEROCYCLE/DIHYDROPYRROLIDINE)-(PIPERAZINYL)-1-ALCANONE DERIVATIVES, AND USE THEREOF AS p75 INHIBITORS SANOFI (FR) 2013-11-14 — — US disclosed
US-8518947-B2 (Heterocycle/tetrahydropyridine)-(piperazinyl)-1-alcanone and (heterocycle/dihydropyrrolidine)-(piperazinyl)-1-alcanone derivatives, and use thereof as p75 inhibitors SANOFI (FR) 2013-08-27 — — US disclosed
US-20120245150-A1 NOVEL (HETEROCYCLE/TETRAHYDROPYRIDINE)-(PIPERAZINYL)-1-ALCANONE AND (HETEROCYCLE/DIHYDROPYRROLIDINE)-(PIPERAZINYL)-1-ALCANONE DERIVATIVES, AND USE THEREOF AS p75 INHIBITORS SANOFI (FR) 2012-09-27 — — 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-20120245150-A1 NOVEL (HETEROCYCLE/TETRAHYDROPYRIDINE)-(PIPERAZINYL)-1-ALCANONE AND (HETEROCYCLE/DIHYDROPYRROLIDINE)-(PIPERAZINYL)-1-ALCANONE DERIVATIVES, AND USE THEREOF AS p75 INHIBITORS NTRK2, NTRK1, NTRK3 USP30 4199/4885DGAT1 4204/4885HSD11B1 3941/4885
US-20130303520-A1 NOVEL (HETEROCYCLE/TETRAHYDROPYRIDINE)-(PIPERAZINYL)-1-ALCANONE AND (HETEROCYCLE/DIHYDROPYRROLIDINE)-(PIPERAZINYL)-1-ALCANONE DERIVATIVES, AND USE THEREOF AS p75 INHIBITORS NTRK2, NTRK1, NTRK3 USP30 4199/4885DGAT1 4204/4885HSD11B1 3941/4885

“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.

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