SCHEMBL667784

SCHEMBL667784

O=C(c1ccccc1O)N1CC[N]CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.50
MAPT P10636 3/20 0.47
KDM4E B2RXH2 2/20 0.47
POLB P06746 2/20 0.47
GAA P10253 2/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 4/20 0.46
TSHR P16473 2/20 0.46
USP2 O75604 1/20 0.46
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
HTT P42858 1/20 0.45
KCNMA1 Q12791 1/20 0.44
HPGD P15428 3/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
HMGB1 P09429 1/20 0.44
CA4 P22748 1/20 0.44

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
SCHEMBL11718417 0.87 MEN1 (0.61) MGLLMAPTKDM4EPOLBGAA
SCHEMBL31347868 0.87 MEN1 (0.61) MGLLMAPTKDM4EPOLBGAA
SCHEMBL29940966 0.83 HTT (0.62) MGLLMAPTKDM4EPOLBGAA
SCHEMBL30203951 0.83 MAPT (0.65) MGLLMAPTKDM4EPOLBGAA
SCHEMBL1008405 0.83 MAPT (0.65) MGLLMAPTKDM4EPOLBGAA
SCHEMBL14511319 0.83 HTT (0.62) MGLLMAPTKDM4EPOLBGAA
SCHEMBL2302971 0.81 MAPT (0.68) MAPTKDM4EPOLBGAAMEN1
SCHEMBL4057568 0.81 MAPT (0.68) MAPTKDM4EPOLBGAAMEN1
SCHEMBL3556250 0.81 TSHR (0.64) KDM4EPOLBMEN1KMT2AALDH1A1
SCHEMBL554704 0.79 MGLL (0.67) MGLLGAAKMT2AALDH1A1TSHR

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-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
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-2006053255-A2 NOVEL BETULIN DERIVATIVES, PREPARATION THEREOF AND USE THEREOF PANACOS PHARMACEUTICALS, INC. (US) 2006-05-18 WO claimed
US-20170096446-A1 Extended Triterpene Derivatives MYREXIS, INC. (US) 2017-04-06 US disclosed
US-9505800-B2 Extended triterpene derivatives MYREXIS, INC. (US) 2016-11-29 US disclosed
US-20120046291-A1 Extended Triterpene Derivatives MYREXIS, INC. 2012-02-23 US disclosed
EP-1828223-A4 NOVEL BETULIN DERIVATIVES, PREPARATION THEREOF AND USE THEREOF PANACOS PHARMACEUTICALS INC (US) 2009-03-11 EP disclosed
WO-2008057420-A2 EXTENDED TRITERPENE DERIVATIVES PANACOS PHARMACEUTICALS, INC. (US) 2008-05-15 WO disclosed
EP-1828223-A2 NOVEL BETULIN DERIVATIVES, PREPARATION THEREOF AND USE THEREOF Panacos Pharmaceuticals, Inc. (US) 2007-09-05 EP disclosed
US-20060205697-A1 Novel betulin derivatives, preparation thereof and use thereof MYREXIS, INC. 2006-09-14 US disclosed
WO-2006053255-A2 NOVEL BETULIN DERIVATIVES, PREPARATION THEREOF AND USE THEREOF PANACOS PHARMACEUTICALS, INC. (US) 2006-05-18 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 (3 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 MGLL 3824/4885MAPT 3023/4885KDM4E 2745/4885
US-20170096446-A1 Extended Triterpene Derivatives BET1, PGGT1B, TMPO MGLL 2972/4885MAPT 2506/4885KDM4E 2853/4885
US-20120046291-A1 Extended Triterpene Derivatives BET1, PGGT1B, TMPO MGLL 2972/4885MAPT 2506/4885KDM4E 2853/4885

“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.