SCHEMBL2827917

SCHEMBL2827917

CC(C)(Oc1ccc(Cl)cc1F)C(=NC1CN2CCC1CC2)NC#N

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 4/20 0.38
HSD11B1 P28845 1/20 0.37
HSD11B2 P80365 1/20 0.37
GPR6 P46095 6/20 0.35
AR P10275 1/20 0.33
FPR2 P25090 1/20 0.33
PROKR1 Q8TCW9 1/20 0.33
MAPK1 P28482 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
SCN9A Q15858 1/20 0.31
P2RX7 Q99572 1/20 0.31
MAPT P10636 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 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
SCHEMBL2824433 0.85 HSD11B1 (0.40) HSD11B1HSD11B2MAPK1NPSR1L3MBTL1
SCHEMBL2824621 0.82 HSD11B1 (0.43) USP30HSD11B1HSD11B2GPR6SCN9A
SCHEMBL2822224 0.81 HSD11B1 (0.38) USP30HSD11B1HSD11B2GPR6AR
SCHEMBL2827919 0.80 HSD11B1 (0.40) USP30HSD11B1HSD11B2GPR6MAPK1
SCHEMBL2827916 0.80 HSD11B1 (0.40) USP30HSD11B1HSD11B2GPR6MAPK1
SCHEMBL2823673 0.80 HSD11B1 (0.44) USP30HSD11B1HSD11B2GPR6AR
SCHEMBL2827937 0.75 HSD11B1 (0.47) USP30HSD11B1HSD11B2P2RX7NPC1
SCHEMBL2827946 0.75 HSD11B1 (0.46) USP30HSD11B1HSD11B2
SCHEMBL2823384 0.75 HSD11B1 (0.47) USP30HSD11B1HSD11B2GPR6P2RX7
SCHEMBL2823394 0.72 SIGMAR1 (0.38) HSD11B1HSD11B2GPR6P2RX7

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
EP-2243479-A2 Novel amide and amidine derivates and uses thereof Abbott Laboratories (US) 2010-10-27 EP 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 USP30 2077/4885HSD11B1 2/4885HSD11B2 1/4885

“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.