SCHEMBL2180540

SCHEMBL2180540

C[C@@H]1CN(c2cccnc2)C[C@H](C)N1CC(=O)N1CCc2nn(-c3ccncc3)cc2C1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 1/20 0.40
CXCR3 P49682 6/20 0.39
PDK2 Q15119 1/20 0.38
CHRM4 P08173 3/20 0.38
CYP1A2 P05177 1/20 0.38
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.35
PIK3CG P48736 1/20 0.35
HTT P42858 1/20 0.35
POLB P06746 1/20 0.35
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
GPR119 Q8TDV5 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
SCHEMBL2179035 0.88 PDK2 (0.39) CXCR3PDK2CHRM4ALDH1A1TSHR
SCHEMBL2178765 0.86 CXCR3 (0.39) GRM1CXCR3PDK2CHRM4CYP1A2
SCHEMBL2179915 0.84 CXCR3 (0.41) CXCR3PDK2CHRM4ALDH1A1HTT
SCHEMBL2179970 0.81 PDK2 (0.43) CXCR3PDK2CHRM4ALDH1A1TSHR
SCHEMBL12541558 0.81 PDK2 (0.40) PDK2CHRM4ALDH1A1TSHR
SCHEMBL12540686 0.81 PDK2 (0.38) PDK2CHRM4ALDH1A1TSHRPOLB
SCHEMBL12540212 0.80 ADRA1A (0.37) PDK2ALDH1A1TSHRHTTHDAC1
SCHEMBL16592801 0.80 PDK2 (0.37) CXCR3PDK2CHRM4ALDH1A1TSHR
Hydrochloric Acid SCHEMBL12541625 0.79 ADRA1A (0.37) PDK2ALDH1A1TSHRHTTHDAC1
SCHEMBL2177670 0.78 ALDH1A1 (0.41) PDK2ALDH1A1TSHR

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 GRM1 2185/4885CXCR3 3942/4885PDK2 314/4885
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 GRM1 2245/4885CXCR3 3808/4885PDK2 301/4885

“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.