SCHEMBL2828362

SCHEMBL2828362

CC(C)(/C(=N\C#N)NC1C2CC3CC1CC(C(=O)O)(C3)C2)N1CCCN(c2cccc(C(F)(F)F)c2)CCC1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 17/20 0.51
HSD11B2 P80365 11/20 0.51
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.37
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL2828364 1.00 HSD11B1 (0.51) HSD11B1HSD11B2SMN1; SMN2POLBLMNA
SCHEMBL2822072 0.95 HSD11B1 (0.56) HSD11B1HSD11B2SMN1; SMN2LMNAHTT
SCHEMBL2822068 0.95 HSD11B1 (0.56) HSD11B1HSD11B2SMN1; SMN2LMNAHTT
SCHEMBL2827184 0.88 HSD11B1 (0.46) HSD11B1HSD11B2
SCHEMBL2827182 0.88 HSD11B1 (0.46) HSD11B1HSD11B2
SCHEMBL233346 0.88 HSD11B1 (0.62) HSD11B1HSD11B2SMN1; SMN2
SCHEMBL2824415 0.86 HSD11B1 (0.61) HSD11B1HSD11B2
SCHEMBL2824413 0.86 HSD11B1 (0.61) HSD11B1HSD11B2
SCHEMBL2824277 0.85 HSD11B1 (0.48) HSD11B1HSD11B2SMN1; SMN2
SCHEMBL2824275 0.85 HSD11B1 (0.48) HSD11B1HSD11B2SMN1; 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 5 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-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 1/4885SMN1; SMN2 2135/4885

“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.