SCHEMBL2827155

SCHEMBL2827155

CC(C(=NC1C2CC3CC1CC(O)(C3)C2)NC#N)N1CCc2cc(Cl)ccc21

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
HSD11B1 P28845 3/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
HSD11B2 P80365 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
NOTUM Q6P988 1/20 0.32
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C8 P10632 1/20 0.31
NPY5R Q15761 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
SCHEMBL2827152 0.83 HSD11B1 (0.40) ALDH1A1POLBMAPTHSD11B1HSD11B2
SCHEMBL2827154 0.83 HSD11B1 (0.40) ALDH1A1POLBMAPTHSD11B1HSD11B2
SCHEMBL2827950 0.78 HSD11B1 (0.36) HSD11B1HSD11B2
SCHEMBL2830695 0.78 HSD11B1 (0.41) HSD11B1HSD11B2
SCHEMBL230495 0.77 HSD11B1 (0.52) ALDH1A1POLBMAPTHSD11B1HSD11B2
SCHEMBL2827424 0.77 HSD11B1 (0.37) HSD11B1HSD11B2
SCHEMBL2823670 0.75 HSD11B1 (0.40) HSD11B1HSD11B2
SCHEMBL2827421 0.75 HSD11B1 (0.40) HSD11B1
SCHEMBL2827928 0.74 HSD11B1 (0.38) HSD11B1HSD11B2
SCHEMBL2823368 0.74 HSD11B1 (0.64) HSD11B1HSD11B2

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 ALDH1A1 935/4885POLB 3614/4885MAPT 4080/4885

“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.