SCHEMBL2176408

SCHEMBL2176408

O=C(CCl)N1CC=CCC1c1ccc2cccoc1-2

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 4/20 0.38
TEAD4 Q15561 4/20 0.38
TEAD2 Q15562 1/20 0.38
RAB9A P51151 4/20 0.35
POLB P06746 2/20 0.35
NCOA3 Q9Y6Q9 2/20 0.35
NCOA1 Q15788 1/20 0.35
ALDH1A1 P00352 3/20 0.33
PKM P14618 2/20 0.33
MITF O75030 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NOD2 Q9HC29 1/20 0.33
NPC1 O15118 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KMT2A Q03164 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
SCHEMBL2179612 0.71 CHRM1 (0.39)
SCHEMBL2176975 0.70 HDAC1 (0.33) SMN1; SMN2
SCHEMBL2178172 0.69
SCHEMBL4906893 0.64
SCHEMBL2180738 0.64 SLC6A2 (0.36) NPSR1
SCHEMBL29888375 0.58 NR1I2 (0.42) RAB9APKMLMNASMN1; SMN2NPC1
SCHEMBL11111123 0.58 CASP3 (0.38) RAB9APOLBALDH1A1SMN1; SMN2NPC1
SCHEMBL21393103 0.56 YAP1 (0.78) YAP1TEAD4TEAD2RAB9APOLB
SCHEMBL7810890 0.56 RAB9A (0.37) YAP1TEAD4RAB9AALDH1A1MITF
SCHEMBL7869896 0.55 ACMSD (0.44) RAB9APOLBALDH1A1PKMNPC1

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 YAP1 2854/4885TEAD4 4053/4885TEAD2 3560/4885
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 YAP1 2854/4885TEAD4 4053/4885TEAD2 3560/4885

“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.