SCHEMBL664774

SCHEMBL664774

[CH2]c1ccc(N2CCOCC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.58
MAPT P10636 7/20 0.57
ALDH1A1 P00352 4/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
HTT P42858 3/20 0.57
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
CYP1A2 P05177 1/20 0.57
KDM4E B2RXH2 4/20 0.55
ALOX15 P16050 2/20 0.55
HSD17B10 Q99714 2/20 0.55
TP53 P04637 2/20 0.55
MAPK1 P28482 2/20 0.55
USP2 O75604 1/20 0.55
HPGD P15428 1/20 0.52
LGMN Q99538 1/20 0.50
PKM P14618 2/20 0.48
TSHR P16473 2/20 0.48
GSK3B P49841 1/20 0.47

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
SCHEMBL21410327 0.94 LMNA (0.52) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL9093746 0.87 LMNA (0.71) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL6852012 0.80 LMNA (0.52) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL96630 0.80 ALDH1A1 (0.54) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL2175616 0.80 LMNA (0.62) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL6245150 0.78 LMNA (0.60) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL9092806 0.78 LMNA (0.60) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL28815529 0.78 LMNA (0.67) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL1727257 0.78 ALDH1A1 (0.58) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL2462446 0.77 LMNA (0.59) LMNAMAPTALDH1A1MEN1KMT2A

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 95 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150291623-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2015-10-15 US claimed
US-20120295897-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2012-11-22 US claimed
EP-2350090-A2 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS Xenon Pharmaceuticals Inc. (CA) 2011-08-03 EP claimed
US-7960380-B2 Non-anilinic derivatives of isothiazol-3(2H)-one 1,1-dioxides as liver X receptor modulators ASTRAZENECA AB (SE) 2011-06-14 US claimed
US-20100227847-A1 Non-Anilinic Derivatives Of Isothiazol-3(2H)-one 1,1-Dioxides As Liver X Receptor Modulators ASTRAZENECA AB (SE) 2010-09-09 US claimed
US-20100137299-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2010-06-03 US claimed
WO-2010045251-A2 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS, INC. (CA) 2010-04-22 WO claimed
US-7645738-B2 18-membered nitrobenzyl- and aminobenzyl-substituted cyclohexadepsipeptides for controlling endoparasites and a process for their preparation BAYER ANIMAL HEALTH GMBH (DE) 2010-01-12 US claimed
EP-1715883-B1 18-MEMBERED NITROBENZYL-SUBSTITUTED AND AMINOBENZYL-SUBSTITUTED CYCLOHEXADEPSIPEPTIDES FOR CONTROLLING ENDOPARASITES, AND METHOD FOR THE PRODUCTION THEREOF BAYER ANIMAL HEALTH GMBH (DE) 2009-04-22 EP claimed
EP-1828223-A4 NOVEL BETULIN DERIVATIVES, PREPARATION THEREOF AND USE THEREOF PANACOS PHARMACEUTICALS INC (US) 2009-03-11 EP claimed
WO-2008057420-A2 EXTENDED TRITERPENE DERIVATIVES PANACOS PHARMACEUTICALS, INC. (US) 2008-05-15 WO claimed
CN-101142227-A Novel betulin derivatives, preparation thereof and use thereof PANACOS PHARMACEUTICALS INC (US) 2008-03-12 CN claimed
US-20080026990-A1 18-Membered Nitrobenzyl- and Aminobenzyl-Substituted Cyclohexadepsipeptides for Controlling Endoparasites and a Process for Their Preparation BAYER HEALTHCARE AG (DE) 2008-01-31 US claimed
EP-1838687-A1 NON-ANILINIC DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS AstraZeneca AB (SE) 2007-10-03 EP claimed
EP-1828223-A2 NOVEL BETULIN DERIVATIVES, PREPARATION THEREOF AND USE THEREOF Panacos Pharmaceuticals, Inc. (US) 2007-09-05 EP claimed
US-20060205697-A1 Novel betulin derivatives, preparation thereof and use thereof MYREXIS, INC. 2006-09-14 US claimed
WO-2006073366-A1 NON-ANILINIC DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2006-07-13 WO claimed
WO-2006053255-A2 NOVEL BETULIN DERIVATIVES, PREPARATION THEREOF AND USE THEREOF PANACOS PHARMACEUTICALS, INC. (US) 2006-05-18 WO claimed
US-6759428-B2 SUCH AS N-((1,2)-2-(((CYANO(CYCLOPROPYL)METHYL)AMINO)CARBONYL) CYCLOHEXYL)-1H-INDOLE-2-CARBOXAMIDE; CATHEPSIN K INHIBITORS ROCHE PALO ALTO LLC 2004-07-06 US claimed
US-20040077646-A1 Indole nitriles ROCHE PALO ALTO LLC 2004-04-22 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-20060205697-A1 Novel betulin derivatives, preparation thereof and use thereof BET1, PGGT1B, TMPO LMNA 3393/4885MAPT 3023/4885ALDH1A1 2323/4885
US-20080026990-A1 18-Membered Nitrobenzyl- and Aminobenzyl-Substituted Cyclohexadepsipeptides for Controlling Endoparasites and a Process for Their Preparation CBR3, C3AR1, EDNRB LMNA 3119/4885MAPT 4877/4885ALDH1A1 3985/4885
US-20040077646-A1 Indole nitriles TPH1, IDO1, NAT1 LMNA 2522/4885MAPT 2496/4885ALDH1A1 535/4885
US-20150291623-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS TRPV3, TRPV1, TRPC3 LMNA 1296/4885MAPT 103/4885ALDH1A1 1020/4885
US-20100227847-A1 Non-Anilinic Derivatives Of Isothiazol-3(2H)-one 1,1-Dioxides As Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 LMNA 3236/4885MAPT 2119/4885ALDH1A1 2568/4885
US-20120295897-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS TRPV3, TRPC3, TRPV1 LMNA 1332/4885MAPT 106/4885ALDH1A1 1005/4885
US-20100137299-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS TRPV3, TRPV1, TRPC3 LMNA 1296/4885MAPT 103/4885ALDH1A1 1020/4885

“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.