SCHEMBL2823086

SCHEMBL2823086

CC(C(=NC1C2CC3CC1CC(O)(C3)C2)NC#N)N1CCC(Oc2cccc(F)c2)C1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.39
HSD11B2 P80365 1/20 0.39
HRH3 Q9Y5N1 3/20 0.33
P2RX7 Q99572 3/20 0.33
MGLL Q99685 3/20 0.32
ABHD6 Q9BV23 3/20 0.32
FAAH O00519 1/20 0.32
GPR6 P46095 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
KCNH2 Q12809 1/20 0.31
RET P07949 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
SCN9A Q15858 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
SCHEMBL2823083 0.85 HSD11B1 (0.46) HSD11B1HSD11B2HRH3
SCHEMBL2823078 0.85 HSD11B1 (0.46) HSD11B1HSD11B2HRH3
SCHEMBL2821877 0.81 HSD11B1 (0.53) HSD11B1HSD11B2P2RX7
SCHEMBL2827148 0.81 HSD11B1 (0.52) HSD11B1HSD11B2P2RX7GPR6
SCHEMBL233148 0.79 HSD11B1 (0.62) HSD11B1HSD11B2HRH3MGLLABHD6
SCHEMBL2830695 0.79 HSD11B1 (0.41) HSD11B1HSD11B2RET
SCHEMBL2824590 0.79 HSD11B1 (0.55) HSD11B1HSD11B2
SCHEMBL2823260 0.75 HSD11B1 (0.42) HSD11B1HSD11B2
SCHEMBL2823670 0.75 HSD11B1 (0.40) HSD11B1HSD11B2
SCHEMBL2827950 0.74 HSD11B1 (0.36) HSD11B1HSD11B2P2RX7

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-8507493-B2 Amide and amidine derivatives and uses thereof ABBVIE INC. (US) 2013-08-13 US claimed
EP-2243479-A2 Novel amide and amidine derivates and uses thereof Abbott Laboratories (US) 2010-10-27 EP 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
EP-2243479-A2 Novel amide and amidine derivates and uses thereof Abbott Laboratories (US) 2010-10-27 EP 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 1/4885HRH3 776/4885

“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.