SCHEMBL2180734

SCHEMBL2180734

O=C(CCl)N1CC=C(c2cccc3ccoc23)C1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 2/20 0.35
GSK3B P49841 2/20 0.35
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
JAK1 P23458 1/20 0.32
PKM P14618 1/20 0.32
RAB9A P51151 1/20 0.32
POLQ O75417 1/20 0.32
GYS1 P13807 1/20 0.31

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
SCHEMBL2177172 0.88 CCNT1 (0.38) GSK3AGSK3BMEN1KMT2APKM
SCHEMBL2176397 0.88 MEN1 (0.43) ALDH1A1MEN1KMT2AJAK1RAB9A
SCHEMBL15203485 0.70 NR1H4 (0.31) GYS1
SCHEMBL2180738 0.65 SLC6A2 (0.36)
SCHEMBL15203505 0.64 JAK1 (0.45) GSK3AGSK3BALDH1A1HTTMEN1
SCHEMBL2179036 0.64 ALDH1A1 (0.45) GSK3AGSK3BALDH1A1HTTMEN1
SCHEMBL27886023 0.64 MEN1 (0.71) ALDH1A1HTTMEN1KMT2ARAB9A
SCHEMBL26184965 0.61 MAPT (0.38) ALDH1A1MEN1KMT2ARAB9AGYS1
SCHEMBL28264478 0.61 HPGD (0.43) ALDH1A1MEN1KMT2ARAB9APOLQ
SCHEMBL24534328 0.61 ALDH1A1 (0.44) ALDH1A1HTTMEN1KMT2APKM

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 7 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 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 GSK3A 3275/4885GSK3B 2488/4885ALDH1A1 75/4885
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 GSK3A 3275/4885GSK3B 2488/4885ALDH1A1 75/4885

“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.