SCHEMBL2833813

SCHEMBL2833813

CC(C)(C(=NC#N)NC1C2CC3CC(C2)CC1C3)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 11/20 0.42
HSD11B1 P28845 3/20 0.41
KMT2A Q03164 1/20 0.39
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
FAAH O00519 1/20 0.35

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
SCHEMBL2823730 0.86 HSD11B1 (0.52) HSD11B1
SCHEMBL2823728 0.86 HSD11B1 (0.52) HSD11B1
SCHEMBL2826917 0.83 HSD11B1 (0.55) HSD11B1
SCHEMBL2826915 0.83 HSD11B1 (0.55) HSD11B1
SCHEMBL2821767 0.81 HSD11B1 (0.57) HSD11B1
SCHEMBL2821770 0.81 HSD11B1 (0.57) HSD11B1
SCHEMBL2021692 0.76 HSD11B1 (0.64) EPHX2HSD11B1KMT2ACNR1CNR2
SCHEMBL2833815 0.75 SIGMAR1 (0.40) EPHX2HSD11B1KMT2A
SCHEMBL2822252 0.74 HSD11B1 (0.45) HSD11B1
SCHEMBL2822251 0.74 HSD11B1 (0.45) HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507493-B2 Amide and amidine derivatives and uses thereof ABBVIE INC. (US) 2013-08-13 US disclosed
US-20100267738-A1 NOVEL AMIDE AND AMIDINE DERIVATIVES AND USES THEREOF ABBOTT LABORATORIES (US) 2010-10-21 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 (1 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-20100267738-A1 NOVEL AMIDE AND AMIDINE DERIVATIVES AND USES THEREOF HSD11B2, HSD11B1, HSD17B2 EPHX2 1112/4885HSD11B1 2/4885KMT2A 2829/4885

“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.