SCHEMBL2823449

SCHEMBL2823449

N#CNC(Cc1cccnc1Cl)=NC1C2CC3CC1CC(O)(C3)C2

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 10/20 0.36
HSD11B1 P28845 5/20 0.35
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM1A O60341 1/20 0.32
MAOB P27338 1/20 0.32
P2RX4 Q99571 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
SCHEMBL2822004 0.82 P2RX7 (0.36) P2RX7HSD11B1
SCHEMBL2823541 0.82 P2RX7 (0.46) P2RX7HSD11B1SMN1; SMN2
SCHEMBL2823452 0.81 HSD11B1 (0.43) P2RX7HSD11B1
SCHEMBL2823445 0.81 HSD11B1 (0.43) P2RX7HSD11B1
SCHEMBL2822282 0.76 P2RX7 (0.36) P2RX7HSD11B1
SCHEMBL2823693 0.75 CYP3A4 (0.34) P2RX7HSD11B1
SCHEMBL2824993 0.75 CYP3A4 (0.34) P2RX7HSD11B1
SCHEMBL2826888 0.74 HSD11B1 (0.39) P2RX7HSD11B1ALDH1A1SMN1; SMN2KDM1A
SCHEMBL2822255 0.65 HSD11B1 (0.36) P2RX7HSD11B1
SCHEMBL2822168 0.65 HSD11B1 (0.32) P2RX7HSD11B1ALDH1A1SMN1; SMN2

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 P2RX7 4138/4885HSD11B1 2/4885ALDH1A1 935/4885

“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.