SCHEMBL2178976

SCHEMBL2178976

C[C@@H]1CN(c2ccc(C(F)(F)F)nc2)C[C@H](C)N1CC(=O)N1CC=C(c2ccc3c(c2)OCCO3)CC1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 2/20 0.36
TRPV1 Q8NER1 1/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
CHRM4 P08173 2/20 0.35
KCNH2 Q12809 2/20 0.35
SIGMAR1 Q99720 1/20 0.35
NAMPT P43490 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
TRPA1 O75762 2/20 0.33
CYP3A4 P08684 1/20 0.33
MAPK3 P27361 1/20 0.33
MAPK1 P28482 1/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 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
SCHEMBL2176798 0.85 CXCR3 (0.37) CXCR3CHRM4KCNH2NAMPTHRH3
SCHEMBL12539589 0.84 CXCR3 (0.39) CXCR3PIK3CDCHRM4KCNH2HRH3
SCHEMBL2178754 0.83 NAMPT (0.38) SIGMAR1NAMPTCYP3A4MAPK3MAPK1
SCHEMBL2179119 0.80 NAMPT (0.39) TRPV1PIK3CDPIK3CAKCNH2SIGMAR1
SCHEMBL2179488 0.78 CXCR3 (0.37) CXCR3CHRM4KCNH2HRH3NR1H2
SCHEMBL2179667 0.78 CXCR3 (0.37) CXCR3CHRM4KCNH2HRH3NR1H2
SCHEMBL2178980 0.76 CHRM4 (0.34) CXCR3CHRM4KCNH2HRH3NR1H2
SCHEMBL2224121 0.72 ALDH1A1 (0.53) TRPV1NAMPT
SCHEMBL12540974 0.70 NPC1 (0.54) CXCR3CHRM4KCNH2NR1H2NR1H3
SCHEMBL12539873 0.70 HSD11B1 (0.39) TRPV1KCNH2HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2513088-B1 NOVEL (HETEROCYCLE/TETRAHYDROPYRIDINE)-(PIPERAZINYL)-1-ALCANONE AND (HETEROCYCLE/DIHYDROPYRROLIDINE)-(PIPERAZINYL)-1-ALCANONE DERIVATIVES, AND USE THEREOF AS P75 INHIBITORS SANOFI SA (FR) 2015-07-01 EP claimed
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 claimed
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 claimed
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 claimed
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 claimed
EP-2513088-B1 NOVEL (HETEROCYCLE/TETRAHYDROPYRIDINE)-(PIPERAZINYL)-1-ALCANONE AND (HETEROCYCLE/DIHYDROPYRROLIDINE)-(PIPERAZINYL)-1-ALCANONE DERIVATIVES, AND USE THEREOF AS P75 INHIBITORS SANOFI SA (FR) 2015-07-01 EP disclosed
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
EP-2513088-A1 NOVEL (HETEROCYCLE/TETRAHYDROPYRIDINE)-(PIPERAZINYL)-1-ALCANONE AND (HETEROCYCLE/DIHYDROPYRROLIDINE)-(PIPERAZINYL)-1-ALCANONE DERIVATIVES, AND USE THEREOF AS P75 INHIBITORS SANOFI (FR) 2012-10-24 EP 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
WO-2011080445-A1 NOVEL (HETEROCYCLE/TETRAHYDROPYRIDINE)-(PIPERAZINYL)-1-ALCANONE AND (HETEROCYCLE/DIHYDROPYRROLIDINE)-(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-20120245150-A1 NOVEL (HETEROCYCLE/TETRAHYDROPYRIDINE)-(PIPERAZINYL)-1-ALCANONE AND (HETEROCYCLE/DIHYDROPYRROLIDINE)-(PIPERAZINYL)-1-ALCANONE DERIVATIVES, AND USE THEREOF AS p75 INHIBITORS NTRK2, NTRK1, NTRK3 CXCR3 4303/4885TRPV1 1466/4885PIK3CD 1636/4885
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 CXCR3 4303/4885TRPV1 1466/4885PIK3CD 1636/4885

“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.