SCHEMBL2179729

SCHEMBL2179729

O=C(CN1CCN(c2ccc(C(F)(F)F)cn2)C(=O)C1)N1CCc2nn(-c3ccc(C(F)(F)F)cn3)cc2C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
HPGD P15428 1/20 0.36
HSD11B1 P28845 2/20 0.35
ALDH1A1 P00352 4/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
MAPT P10636 3/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NAMPT P43490 1/20 0.34
LMNA P02545 4/20 0.34
HTT P42858 3/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C19 P33261 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ABL1 P00519 1/20 0.34
CYP2C9 P11712 1/20 0.34
LIPE Q05469 1/20 0.34
POLB P06746 1/20 0.34
THRB P10828 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
SCHEMBL12541037 0.94 HTT (0.39) SMN1; SMN2ALDH1A1MEN1KMT2AMAPT
SCHEMBL2178847 0.93 PDK2 (0.39) PDK2SMN1; SMN2HPGDHSD11B1ALDH1A1
SCHEMBL2180264 0.92 PDK2 (0.41) PDK2SMN1; SMN2HPGDHSD11B1MAPT
SCHEMBL2179911 0.89 PDK2 (0.40) PDK2SMN1; SMN2HPGDALDH1A1MAPT
SCHEMBL2181862 0.89 SMN1; SMN2 (0.38) SMN1; SMN2HPGDHSD11B1ALDH1A1MEN1
SCHEMBL12541312 0.89 ALDH1A1 (0.37) SMN1; SMN2HPGDHSD11B1ALDH1A1MEN1
SCHEMBL2179074 0.82 PDK2 (0.43) PDK2SMN1; SMN2HPGDALDH1A1MEN1
SCHEMBL2179521 0.82 LMNA (0.37) PDK2SMN1; SMN2HPGDHSD11B1ALDH1A1
SCHEMBL2178895 0.81 SMN1; SMN2 (0.35) SMN1; SMN2HPGDHSD11B1ALDH1A1MEN1
SCHEMBL2179396 0.81 LMNA (0.39) SMN1; SMN2HPGDHSD11B1ALDH1A1MEN1

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 PDK2 314/4885SMN1; SMN2 1130/4885HPGD 995/4885
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 PDK2 301/4885SMN1; SMN2 1349/4885HPGD 960/4885

“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.