SCHEMBL2823260

SCHEMBL2823260

CC(C(=NC1C2CC3CC1CC(O)(C3)C2)NC#N)N1CCN(c2ccc(F)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 16/20 0.42
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD11B2 P80365 1/20 0.35
MAPT P10636 1/20 0.34

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
SCHEMBL2828285 0.90 HSD11B1 (0.47) HSD11B1
SCHEMBL2824519 0.89 HSD11B1 (0.45) HSD11B1ALDH1A1SMN1; SMN2MAPT
SCHEMBL2827421 0.86 HSD11B1 (0.40) HSD11B1
SCHEMBL2823259 0.83 HSD11B1 (0.51) HSD11B1HSD11B2
SCHEMBL2823256 0.83 HSD11B1 (0.51) HSD11B1HSD11B2
SCHEMBL2827777 0.81 HSD11B1 (0.47) HSD11B1ALDH1A1SMN1; SMN2MAPT
SCHEMBL2827424 0.81 HSD11B1 (0.37) HSD11B1SMN1; SMN2HSD11B2
SCHEMBL2823498 0.81 HSD11B1 (0.49) HSD11B1HSD11B2
SCHEMBL2826381 0.80 HSD11B1 (0.51) HSD11B1
SCHEMBL2827454 0.80 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 HSD11B1 2/4885ALDH1A1 935/4885TSHR 1055/4885

“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.