SCHEMBL2830778

SCHEMBL2830778

CN(/C(=N\C#N)c1cccc(OCCc2ccccc2)c1)C1C2CC3CC1CC(O)(C3)C2

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.36
CNR2 P34972 1/20 0.36
GRIK2 Q13002 1/20 0.36
ADAM17 P78536 1/20 0.35
HSD11B1 P28845 2/20 0.35
NR1H4 Q96RI1 1/20 0.34
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
SLC2A1 P11166 1/20 0.32
LPAR1 Q92633 1/20 0.32
IDH1 O75874 1/20 0.32
FFAR1 O14842 1/20 0.32
ESR1 P03372 1/20 0.32
KMT2A Q03164 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
SCHEMBL2020655 1.00 FAAH (0.36) FAAHCNR2GRIK2ADAM17HSD11B1
SCHEMBL1168251 0.86 HSD11B1 (0.45) FAAHCNR2GRIK2ADAM17HSD11B1
SCHEMBL946220 0.77 HSD11B1 (0.47) FAAHCNR2GRIK2HSD11B1CYP11B1
SCHEMBL1168372 0.75 FAAH (0.52) FAAHCNR2GRIK2ADAM17HSD11B1
SCHEMBL1168472 0.74 HSD11B1 (0.49) FAAHCNR2HSD11B1KMT2A
SCHEMBL3634002 0.72 THRB (0.51) FAAHHSD11B1NR1H4KMT2A
SCHEMBL1169240 0.68 MEN1 (0.51) FAAHCNR2HSD11B1KMT2A
SCHEMBL14135317 0.68 FAAH (0.45) FAAHCNR2GRIK2ADAM17NR1H4
SCHEMBL1168079 0.67 HSD11B1 (0.45) FAAHCNR2ADAM17HSD11B1NR1H4
SCHEMBL946055 0.66 MAPK8 (0.49) FAAHCNR2HSD11B1IDH1KMT2A

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-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 FAAH 72/4885CNR2 849/4885GRIK2 212/4885

“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.