SCHEMBL667364

SCHEMBL667364

CC(=O)NC[C@@H]1CCC[N]1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FUCA1 P04066 1/20 0.35
FAP Q12884 2/20 0.35
DPP4 P27487 1/20 0.35
PREP P48147 1/20 0.35
CACNA1H O95180 1/20 0.35
MTNR1A P48039 5/20 0.33
MTNR1B P49286 3/20 0.33
GLA P06280 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPK1 P28482 1/20 0.31
HIF1A Q16665 1/20 0.31
HTR2C P28335 1/20 0.31
EPHX1 P07099 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
SCHEMBL718205 1.00 FUCA1 (0.35) FUCA1FAPDPP4PREPCACNA1H
SCHEMBL666257 1.00 FUCA1 (0.35) FUCA1FAPDPP4PREPCACNA1H
SCHEMBL5423693 0.94 FAP (0.34) FUCA1FAPDPP4PREPCACNA1H
SCHEMBL3975417 0.76 EPHX1 (0.44) NPSR1EPHX1
SCHEMBL4991660 0.73
SCHEMBL5098580 0.71 ALDH1A1 (0.32)
SCHEMBL1916979 0.70 EPHX1 (0.38) FUCA1FAPDPP4PREPCACNA1H
SCHEMBL7125784 0.69 SAT1 (0.32)
SCHEMBL10470902 0.69
SCHEMBL7125781 0.69 SAT1 (0.32)

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 5 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
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 FUCA1 975/4885FAP 3873/4885DPP4 1940/4885
US-20170096446-A1 Extended Triterpene Derivatives BET1, PGGT1B, TMPO FUCA1 3672/4885FAP 4793/4885DPP4 827/4885
US-20120046291-A1 Extended Triterpene Derivatives BET1, PGGT1B, TMPO FUCA1 3672/4885FAP 4793/4885DPP4 827/4885

“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.