SCHEMBL2827235

SCHEMBL2827235

CC(C)(C(=N)N(C#N)C1C2CC3CC1CC(O)(C3)C2)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
HSD11B1 P28845 4/20 0.35
PGR P06401 1/20 0.33
ALDH1A1 P00352 3/20 0.32
NPSR1 Q6W5P4 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL2827165 0.85 HSD11B1 (0.34) HSD11B1
SCHEMBL2825387 0.74 HSD11B1 (0.46) NPC1RAB9AHSD11B1
SCHEMBL2825390 0.74 HSD11B1 (0.46) NPC1RAB9AHSD11B1
SCHEMBL2825392 0.74 HSD11B1 (0.38) NPC1RAB9AHSD11B1PGRALDH1A1
SCHEMBL2824066 0.70 HSD11B1 (0.42) HSD11B1
SCHEMBL2872073 0.67 HSD11B1 (0.34) HSD11B1
SCHEMBL2827296 0.64 HSD11B1 (0.33) HSD11B1
SCHEMBL14677064 0.61 HSD11B1 (0.60) HSD11B1
SCHEMBL2824564 0.61 TSHR (0.36) HSD11B1ALDH1A1NPSR1MAPT
SCHEMBL2828163 0.61 HSD11B1 (0.32) HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2243479-A2 Novel amide and amidine derivates and uses thereof Abbott Laboratories (US) 2010-10-27 EP claimed
US-8507493-B2 Amide and amidine derivatives and uses thereof ABBVIE INC. (US) 2013-08-13 US 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 NPC1 863/4885RAB9A 2938/4885HSD11B1 2/4885

“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.