SCHEMBL2830616

SCHEMBL2830616

CC(C)(Oc1ccc(F)cc1F)C(=N)N(C#N)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 8/20 0.36
HSD11B2 P80365 6/20 0.35
GCK P35557 2/20 0.31
CNR2 P34972 1/20 0.31
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL2830595 0.90 HSD11B1 (0.45) HSD11B1HSD11B2
SCHEMBL2831639 0.89 HSD11B1 (0.35) HSD11B1HSD11B2GCK
SCHEMBL2833063 0.76 HSD11B1 (0.41) HSD11B1HSD11B2
SCHEMBL2831637 0.74 HSD11B1 (0.33) HSD11B1HSD11B2GCK
SCHEMBL2831638 0.74 HSD11B1 (0.33) HSD11B1HSD11B2GCK
SCHEMBL2830115 0.74 HSD11B1 (0.52) HSD11B1HSD11B2
SCHEMBL2826228 0.72 SIGMAR1 (0.41) HSD11B1HSD11B2SIGMAR1
SCHEMBL2826231 0.72 HSD11B1 (0.40) HSD11B1HSD11B2CNR2SIGMAR1
SCHEMBL2826225 0.72 HSD11B1 (0.40) HSD11B1HSD11B2CNR2SIGMAR1
SCHEMBL2826372 0.69 HSD11B1 (0.38) HSD11B1HSD11B2GCKCNR2SIGMAR1

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 4 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 claimed
US-20100267738-A1 NOVEL AMIDE AND AMIDINE DERIVATIVES AND USES THEREOF ABBOTT LABORATORIES (US) 2010-10-21 US claimed
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 HSD11B1 2/4885HSD11B2 1/4885GCK 472/4885

“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.