SCHEMBL2823693

SCHEMBL2823693

N#CNC(COc1ccc(Cl)cc1)=NC1C2CC3CC1CC(O)(C3)C2

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
NAMPT P43490 1/20 0.34
ATF4 P18848 6/20 0.34
P2RX7 Q99572 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 2/20 0.32
HSD11B1 P28845 4/20 0.32
HSD11B2 P80365 1/20 0.32
HIF1A Q16665 1/20 0.32
MEN1 O00255 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
SCHEMBL2824993 1.00 CYP3A4 (0.34) CYP3A4CYP2D6CYP2C9CYP2C19NAMPT
SCHEMBL2823691 0.80 HSD11B1 (0.41) HSD11B1HSD11B2
SCHEMBL2823697 0.80 HSD11B1 (0.41) HSD11B1HSD11B2
SCHEMBL2822255 0.76 HSD11B1 (0.36) P2RX7HSD11B1HSD11B2
SCHEMBL2823449 0.75 P2RX7 (0.36) P2RX7HSD11B1
SCHEMBL2822168 0.73 HSD11B1 (0.32) P2RX7MAPTHSD11B1HSD11B2
SCHEMBL2830695 0.73 HSD11B1 (0.41) HSD11B1HSD11B2
SCHEMBL2822004 0.72 P2RX7 (0.36) P2RX7HSD11B1
SCHEMBL2827530 0.71 P2RX7 (0.35) P2RX7HSD11B1
SCHEMBL2822321 0.71 P2RX7 (0.35) P2RX7KMT2A

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 CYP3A4 857/4885CYP2D6 1094/4885CYP2C9 888/4885

“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.