SCHEMBL2824258

SCHEMBL2824258

CC(C)(C(=NC#N)NC1C2CC3CC1CC(C(=O)O)(C3)C2)N1CCN(c2ccccn2)CC1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 14/20 0.57
HSD11B2 P80365 8/20 0.57
GRM5 P41594 2/20 0.47
GRM1 Q13255 3/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPT P10636 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL2824254 1.00 HSD11B1 (0.57) HSD11B1HSD11B2GRM5GRM1ALDH1A1
SCHEMBL2824574 0.92 HSD11B1 (0.57) HSD11B1HSD11B2GRM5
SCHEMBL2824571 0.92 HSD11B1 (0.57) HSD11B1HSD11B2GRM5
SCHEMBL2827874 0.92 HSD11B1 (0.47) HSD11B1HSD11B2GRM5GRM1ALDH1A1
SCHEMBL2827878 0.92 HSD11B1 (0.47) HSD11B1HSD11B2GRM5GRM1ALDH1A1
SCHEMBL2824798 0.91 HSD11B1 (0.53) HSD11B1HSD11B2GRM1
SCHEMBL2824792 0.91 HSD11B1 (0.53) HSD11B1HSD11B2GRM1
SCHEMBL2823292 0.89 HSD11B1 (0.52) HSD11B1HSD11B2ALDH1A1
SCHEMBL2823294 0.89 HSD11B1 (0.52) HSD11B1HSD11B2ALDH1A1
SCHEMBL2823495 0.88 GRM1 (0.50) HSD11B1HSD11B2GRM5GRM1CYP3A4

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 8 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
WO-2010123838-A2 NOVEL AMIDE AND AMIDINE DERIVATIVES AND USES THEREOF ABBOTT LABORATORIES (US) 2010-10-28 WO 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
WO-2010123838-A2 NOVEL AMIDE AND AMIDINE DERIVATIVES AND USES THEREOF ABBOTT LABORATORIES (US) 2010-10-28 WO 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 1/4885GRM5 419/4885

“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.