SCHEMBL665299

SCHEMBL665299

COCCNC(=O)N1CC[N]CC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
ATM Q13315 1/20 0.44
TDP1 Q9NUW8 2/20 0.44
ALDH1A1 P00352 2/20 0.44
KMT2A Q03164 2/20 0.41
HTT P42858 2/20 0.41
MEN1 O00255 1/20 0.41
EPHX2 P34913 1/20 0.39
BCHE P06276 1/20 0.39
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL12888705 0.84 TDP1 (0.56) KDM4EATMTDP1ALDH1A1KMT2A
SCHEMBL31686339 0.82 ALDH1A1 (0.58) KDM4EATMTDP1ALDH1A1KMT2A
SCHEMBL18713106 0.81 KDM4E (0.65) KDM4EATMTDP1ALDH1A1KMT2A
SCHEMBL5238995 0.80 KMT2A (0.54) KDM4ETDP1KMT2AHTTMEN1
SCHEMBL24851949 0.79 KMT2A (0.59) KDM4EATMTDP1ALDH1A1KMT2A
SCHEMBL13015145 0.78 POLB (0.48) KDM4EATMTDP1ALDH1A1KMT2A
SCHEMBL18389970 0.78 KDM4E (0.67) KDM4EATMTDP1ALDH1A1KMT2A
SCHEMBL7510181 0.77 HTT (0.63) KDM4ETDP1ALDH1A1KMT2AHTT
SCHEMBL22642310 0.77 HRH3 (0.49) KDM4EATMTDP1ALDH1A1KMT2A
SCHEMBL18713107 0.77 KDM4E (0.46) KDM4EATMTDP1ALDH1A1KMT2A

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 KDM4E 2745/4885ATM 4550/4885TDP1 2247/4885
US-20170096446-A1 Extended Triterpene Derivatives BET1, PGGT1B, TMPO KDM4E 2853/4885ATM 4718/4885TDP1 3383/4885
US-20120046291-A1 Extended Triterpene Derivatives BET1, PGGT1B, TMPO KDM4E 2853/4885ATM 4718/4885TDP1 3383/4885

“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.