SCHEMBL2827028

SCHEMBL2827028

CC(C)(C(=NC#N)NC1CCCCC1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 12/20 0.70
HSD11B2 P80365 2/20 0.49
DPP4 P27487 2/20 0.49
GAA P10253 1/20 0.48
KDM4E B2RXH2 3/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 2/20 0.47
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 1/20 0.46
ABL1 P00519 1/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL2827026 1.00 HSD11B1 (0.70) HSD11B1HSD11B2DPP4GAAKDM4E
SCHEMBL2827242 0.92 HSD11B1 (0.62) HSD11B1HSD11B2DPP4GAAKDM4E
SCHEMBL2828307 0.83 HSD11B1 (0.57) HSD11B1HSD11B2MAPTALDH1A1
SCHEMBL2828305 0.83 HSD11B1 (0.57) HSD11B1HSD11B2MAPTALDH1A1
SCHEMBL2827241 0.81 HSD11B1 (0.57) HSD11B1HSD11B2MAPTALDH1A1
SCHEMBL2827031 0.81 HSD11B1 (0.57) HSD11B1HSD11B2DPP4GAAKDM4E
SCHEMBL2824524 0.81 HSD11B1 (0.56) HSD11B1HSD11B2MAPTALDH1A1
SCHEMBL2830783 0.80 HSD11B1 (0.77) HSD11B1HSD11B2
SCHEMBL2830784 0.80 HSD11B1 (0.77) HSD11B1HSD11B2
SCHEMBL2826450 0.79 HSD11B1 (0.62) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1/4885DPP4 503/4885

“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.