SCHEMBL2822276

SCHEMBL2822276

CCOC(=O)C1C2CCC(N3CC(COc4ccc(C#N)cn4)C(C)(C)C3=O)CCC21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 12/20 1.00
HSD11B2 P80365 8/20 0.70
TACR3 P29371 3/20 0.36
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
IP6K1 Q92551 1/20 0.33
DPP4 P27487 2/20 0.33
DPP9 Q86TI2 2/20 0.33
DPP8 Q6V1X1 1/20 0.33
P2RX3 P56373 1/20 0.33

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
SCHEMBL328964 1.00 HSD11B1 (1.00) HSD11B1HSD11B2TACR3HCRTR1HCRTR2
SCHEMBL2720258 0.90 HSD11B1 (0.81) HSD11B1HSD11B2TACR3HCRTR1HCRTR2
SCHEMBL4995227 0.90 HSD11B1 (0.81) HSD11B1HSD11B2TACR3HCRTR1HCRTR2
SCHEMBL2716665 0.90 HSD11B1 (0.81) HSD11B1HSD11B2TACR3HCRTR1HCRTR2
SCHEMBL328769 0.83 HSD11B1 (1.00) HSD11B1HSD11B2TACR3HCRTR1HCRTR2
SCHEMBL2720948 0.81 HSD11B1 (0.85) HSD11B1HSD11B2TACR3
SCHEMBL328846 0.81 HSD11B1 (0.85) HSD11B1HSD11B2TACR3HCRTR1HCRTR2
SCHEMBL328946 0.79 HSD11B1 (0.85) HSD11B1HSD11B2TACR3HCRTR1HCRTR2
SCHEMBL329009 0.79 HSD11B1 (0.66) HSD11B1HSD11B2TACR3HCRTR1HCRTR2
SCHEMBL328965 0.79 HSD11B1 (0.66) HSD11B1HSD11B2TACR3HCRTR1HCRTR2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1/4885TACR3 2693/4885

“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.