SCHEMBL665887

SCHEMBL665887

C1C[C@H](N2CCOCC2)C[N]1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL3 Q96JM7 2/20 0.33
KDM1A O60341 1/20 0.33
MAOB P27338 1/20 0.33
CYP2A13 Q16696 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
OPRL1 P41146 2/20 0.33
HRH3 Q9Y5N1 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
SCHEMBL665970 1.00 SMN1; SMN2 (0.41) SMN1; SMN2L3MBTL3KDM1AMAOBCYP2A13
SCHEMBL667411 1.00 SMN1; SMN2 (0.41) SMN1; SMN2L3MBTL3KDM1AMAOBCYP2A13
SCHEMBL73941 0.86 SMN1; SMN2 (0.44) SMN1; SMN2L3MBTL3KDM1AMAOBCYP2A13
SCHEMBL7118432 0.81 SMN1; SMN2 (0.42) SMN1; SMN2L3MBTL3KDM1AMAOBCYP2A13
SCHEMBL667276 0.79 L3MBTL1 (0.40) L3MBTL3ALDH1A1L3MBTL1
SCHEMBL1664709 0.79
SCHEMBL477164 0.79 L3MBTL1 (0.40) L3MBTL3ALDH1A1L3MBTL1
SCHEMBL667548 0.79 L3MBTL1 (0.40) L3MBTL3ALDH1A1L3MBTL1
SCHEMBL1489870 0.77 L3MBTL3 (0.39) L3MBTL3ALDH1A1L3MBTL1HRH3
SCHEMBL1489616 0.77 L3MBTL3 (0.39) L3MBTL3ALDH1A1L3MBTL1HRH3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060205697-A1 Novel betulin derivatives, preparation thereof and use thereof MYREXIS, INC. 2006-09-14 US 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-1888565-B1 2, 6-DI (HETERO) ARYL -4-AMIDO-PYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS ALMIRALL SA (ES) 2011-03-23 EP disclosed
US-20060205697-A1 Novel betulin derivatives, preparation thereof and use thereof MYREXIS, INC. 2006-09-14 US 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 SMN1; SMN2 4756/4885L3MBTL3 4885/4885KDM1A 2377/4885
US-20170096446-A1 Extended Triterpene Derivatives BET1, PGGT1B, TMPO SMN1; SMN2 4762/4885L3MBTL3 3555/4885KDM1A 4216/4885
US-20120046291-A1 Extended Triterpene Derivatives BET1, PGGT1B, TMPO SMN1; SMN2 4762/4885L3MBTL3 3555/4885KDM1A 4216/4885

“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.