SCHEMBL2178895

SCHEMBL2178895

O=C(CN1CCN(c2ccc(C(F)(F)F)cn2)C(=O)C1)N1CCc2c(cnn2CC(F)(F)F)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.35
HPGD P15428 1/20 0.35
HSD11B1 P28845 4/20 0.35
MEN1 O00255 3/20 0.34
ALDH1A1 P00352 3/20 0.34
KMT2A Q03164 3/20 0.34
MAPT P10636 3/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SCN9A Q15858 2/20 0.33
TRPV1 Q8NER1 1/20 0.33
SCN7A Q01118 1/20 0.33
KCNH2 Q12809 1/20 0.33
SCN5A Q14524 1/20 0.33
NAMPT P43490 1/20 0.33
LMNA P02545 4/20 0.33
HTT P42858 3/20 0.33
LIPE Q05469 1/20 0.33
POLB P06746 1/20 0.33
THRB P10828 1/20 0.33
CYP1A2 P05177 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
SCHEMBL12541312 0.84 ALDH1A1 (0.37) SMN1; SMN2HPGDHSD11B1MEN1ALDH1A1
SCHEMBL2179729 0.81 PDK2 (0.36) SMN1; SMN2HPGDHSD11B1MEN1ALDH1A1
SCHEMBL2181862 0.79 SMN1; SMN2 (0.38) SMN1; SMN2HPGDHSD11B1MEN1ALDH1A1
SCHEMBL2179396 0.78 LMNA (0.39) SMN1; SMN2HPGDHSD11B1MEN1ALDH1A1
SCHEMBL2178847 0.78 PDK2 (0.39) SMN1; SMN2HPGDHSD11B1MEN1ALDH1A1
SCHEMBL2180264 0.78 PDK2 (0.41) SMN1; SMN2HPGDHSD11B1MAPTKCNH2
SCHEMBL12541037 0.77 HTT (0.39) SMN1; SMN2MEN1ALDH1A1KMT2AMAPT
SCHEMBL1725911 0.77 NAMPT (0.41) SMN1; SMN2HPGDTRPV1NAMPT
SCHEMBL15203557 0.76 HSD11B1 (0.44) SMN1; SMN2HPGDHSD11B1MEN1ALDH1A1
SCHEMBL1578462 0.75 MEN1 (0.43) SMN1; SMN2MEN1ALDH1A1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2513108-B1 NOVEL (HETEROCYCLE/CONDENSED PIPERIDINE)-(PIPERAZINYL)-1-ALCANONE OR (HETEROCYCLE/CONDENSED PYRROLIDINE)-(PIPERAZINYL)-1-ALCANONE DERIVATIVES, AND USE THEREOF AS P75 INHIBITORS SANOFI SA (FR) 2015-04-01 EP claimed
US-20140038946-A1 NOVEL (HETEROCYCLE/CONDENSED PIPERIDINE)-(PIPERAZINYL)-1-ALKANONE OR (HETEROCYCLE/CONDENSED PYRROLIDINE)-(PIPERAZINYL)-1-ALKANONE DERIVATIVES AND USE THEREOF AS p75 INHIBITORS SANOFI (FR) 2014-02-06 US claimed
US-8580790-B2 (Heterocycle/condensed piperidine)-(piperazinyl)-1-alkanone or (heterocycle/condensed pyrrolidine)-(piperazinyl)-1-alkanone derivatives and use thereof as p75 inhibitors SANOFI (FR) 2013-11-12 US claimed
US-20120245149-A1 NOVEL (HETEROCYCLE/CONDENSED PIPERIDINE)-(PIPERAZINYL)-1-ALKANONE OR (HETEROCYCLE/CONDENSED PYRROLIDINE)-(PIPERAZINYL)-1-ALKANONE DERIVATIVES AND USE THEREOF AS p75 INHIBITORS SANOFI (FR) 2012-09-27 US claimed
EP-2513108-B1 NOVEL (HETEROCYCLE/CONDENSED PIPERIDINE)-(PIPERAZINYL)-1-ALCANONE OR (HETEROCYCLE/CONDENSED PYRROLIDINE)-(PIPERAZINYL)-1-ALCANONE DERIVATIVES, AND USE THEREOF AS P75 INHIBITORS SANOFI SA (FR) 2015-04-01 EP disclosed
US-8957211-B2 (Heterocycle/condensed piperidine)-(piperazinyl)-1-alkanone or (heterocycle/condensed pyrrolidine)-(piperazinyl)-1-alkanone derivatives and use thereof as p75 inhibitors SANOFI (FR) 2015-02-17 US disclosed
US-20140038946-A1 NOVEL (HETEROCYCLE/CONDENSED PIPERIDINE)-(PIPERAZINYL)-1-ALKANONE OR (HETEROCYCLE/CONDENSED PYRROLIDINE)-(PIPERAZINYL)-1-ALKANONE DERIVATIVES AND USE THEREOF AS p75 INHIBITORS SANOFI (FR) 2014-02-06 US disclosed
US-8580790-B2 (Heterocycle/condensed piperidine)-(piperazinyl)-1-alkanone or (heterocycle/condensed pyrrolidine)-(piperazinyl)-1-alkanone derivatives and use thereof as p75 inhibitors SANOFI (FR) 2013-11-12 US disclosed
EP-2513108-A1 NOVEL (HETEROCYCLE/CONDENSED PIPERIDINE)-(PIPERAZINYL)-1-ALCANONE OR (HETEROCYCLE/CONDENSED PYRROLIDINE)-(PIPERAZINYL)-1-ALCANONE DERIVATIVES, AND USE THEREOF AS P75 INHIBITORS SANOFI (FR) 2012-10-24 EP disclosed
US-20120245149-A1 NOVEL (HETEROCYCLE/CONDENSED PIPERIDINE)-(PIPERAZINYL)-1-ALKANONE OR (HETEROCYCLE/CONDENSED PYRROLIDINE)-(PIPERAZINYL)-1-ALKANONE DERIVATIVES AND USE THEREOF AS p75 INHIBITORS SANOFI (FR) 2012-09-27 US disclosed
WO-2011080444-A1 NOVEL (HETEROCYCLE/CONDENSED PIPERIDINE)-(PIPERAZINYL)-1-ALCANONE OR (HETEROCYCLE/CONDENSED PYRROLIDINE)-(PIPERAZINYL)-1-ALCANONE DERIVATIVES, AND USE THEREOF AS P75 INHIBITORS SANOFI-AVENTIS (FR) 2011-07-07 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-20140038946-A1 NOVEL (HETEROCYCLE/CONDENSED PIPERIDINE)-(PIPERAZINYL)-1-ALKANONE OR (HETEROCYCLE/CONDENSED PYRROLIDINE)-(PIPERAZINYL)-1-ALKANONE DERIVATIVES AND USE THEREOF AS p75 INHIBITORS NTRK2, NTRK3, NGF SMN1; SMN2 1130/4885HPGD 995/4885HSD11B1 4377/4885
US-20120245149-A1 NOVEL (HETEROCYCLE/CONDENSED PIPERIDINE)-(PIPERAZINYL)-1-ALKANONE OR (HETEROCYCLE/CONDENSED PYRROLIDINE)-(PIPERAZINYL)-1-ALKANONE DERIVATIVES AND USE THEREOF AS p75 INHIBITORS NTRK2, NTRK3, NGF SMN1; SMN2 1349/4885HPGD 960/4885HSD11B1 4395/4885

“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.