SCHEMBL2828150

SCHEMBL2828150

CC(C)(C(=NC#N)NC1C2CC3CC1CC(C(=O)O)(C3)C2)N1CCN(C(=O)c2ccco2)CC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.44
HSD11B1 P28845 7/20 0.44
HSD11B2 P80365 5/20 0.44
NPSR1 Q6W5P4 2/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 1/20 0.37
ALDH1A1 P00352 2/20 0.37
KMT2A Q03164 1/20 0.37
PKM P14618 1/20 0.37
ATM Q13315 1/20 0.37
LMNA P02545 1/20 0.37
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
SCHEMBL2828147 1.00 USP2 (0.44) USP2HSD11B1HSD11B2NPSR1POLB
SCHEMBL234402 0.87 HSD11B1 (0.54) USP2HSD11B1HSD11B2NPSR1POLB
SCHEMBL2823294 0.82 HSD11B1 (0.52) HSD11B1HSD11B2ALDH1A1LMNA
SCHEMBL2823292 0.82 HSD11B1 (0.52) HSD11B1HSD11B2ALDH1A1LMNA
SCHEMBL2827836 0.81 HSD11B1 (0.50) HSD11B1HSD11B2
SCHEMBL2827835 0.81 HSD11B1 (0.50) HSD11B1HSD11B2
SCHEMBL2828223 0.80 HSD11B1 (0.49) HSD11B1HSD11B2
SCHEMBL2828224 0.80 HSD11B1 (0.49) HSD11B1HSD11B2
SCHEMBL2828130 0.80 HSD11B1 (0.52) HSD11B1HSD11B2
SCHEMBL2828133 0.80 HSD11B1 (0.52) 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 USP2 1846/4885HSD11B1 2/4885HSD11B2 1/4885

“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.