SCHEMBL2179915

SCHEMBL2179915

C[C@@H]1CN(c2cccnc2)C[C@H](C)N1CC(=O)N1CCc2nn(-c3ccc(C(F)(F)F)cn3)cc2C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 4/20 0.41
TRPV1 Q8NER1 1/20 0.37
CYP3A4 P08684 2/20 0.37
SMN1; SMN2 Q16637 4/20 0.36
KDM4E B2RXH2 2/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
ABL1 P00519 1/20 0.35
BCR P11274 1/20 0.35
DDR1 Q08345 1/20 0.35
DDR2 Q16832 1/20 0.35
PDK2 Q15119 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
HPGD P15428 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
CHRM4 P08173 1/20 0.35
HSD11B1 P28845 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 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
SCHEMBL2178765 0.90 CXCR3 (0.39) CXCR3PDK2CHRM4MAPTCHRM1
SCHEMBL2177903 0.90 HSD11B1 (0.42) CXCR3SMN1; SMN2KDM4EHCRTR1HCRTR2
SCHEMBL13369693 0.90 HSD11B1 (0.42) CXCR3SMN1; SMN2KDM4EHCRTR1HCRTR2
SCHEMBL12541398 0.90 CXCR3 (0.39) CXCR3SMN1; SMN2KDM4EHCRTR1HCRTR2
SCHEMBL12542035 0.88 CXCR3 (0.43) CXCR3TRPV1SMN1; SMN2KDM4EHCRTR1
SCHEMBL12541660 0.88 CXCR3 (0.41) CXCR3SMN1; SMN2KDM4EHCRTR1HCRTR2
SCHEMBL12541194 0.87 CXCR3 (0.43) CXCR3SMN1; SMN2KDM4EHCRTR1HCRTR2
SCHEMBL12540494 0.86 HSD11B1 (0.42) CXCR3CYP3A4SMN1; SMN2KDM4EHCRTR1
SCHEMBL2180540 0.84 GRM1 (0.40) CXCR3PDK2CHRM4ALDH1A1POLB
SCHEMBL2180611 0.84 CYP3A4 (0.37) CXCR3TRPV1CYP3A4SMN1; SMN2KDM4E

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 13 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
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 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
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 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 CXCR3 3942/4885TRPV1 1769/4885CYP3A4 3806/4885
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 CXCR3 3808/4885TRPV1 1746/4885CYP3A4 3718/4885

“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.