SCHEMBL2828153

SCHEMBL2828153

CC(C(=NC1C2CC3CC1CC(O)(C3)C2)NC#N)N(C)CCc1ccc(Cl)c(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 19/20 0.37
GRIN2D O15399 2/20 0.37
GRIN3B O60391 2/20 0.37
GRIN1 Q05586 2/20 0.37
GRIN2A Q12879 2/20 0.37
GRIN2B Q13224 2/20 0.37
GRIN2C Q14957 2/20 0.37
GRIN3A Q8TCU5 2/20 0.37
CYP1A2 P05177 4/20 0.32
TP53 P04637 3/20 0.32
ALDH1A1 P00352 3/20 0.32
MAPT P10636 2/20 0.32
CYP2C19 P33261 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP2D6 P10635 3/20 0.31
TSHR P16473 3/20 0.31
HSD11B1 P28845 1/20 0.31
CYP3A4 P08684 2/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL2828151 0.84 SIGMAR1 (0.37) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2828148 0.84 SIGMAR1 (0.37) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2827126 0.79 P2RX7 (0.31) ALDH1A1MAPTSMN1; SMN2
SCHEMBL2827950 0.69 HSD11B1 (0.36) HSD11B1
SCHEMBL233195 0.69 HSD11B1 (0.37) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2827155 0.68 ALDH1A1 (0.35) ALDH1A1MAPTHSD11B1CYP3A4
SCHEMBL2822076 0.68 HSD11B1 (0.41) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2827928 0.67 HSD11B1 (0.38) HSD11B1
SCHEMBL2822168 0.67 HSD11B1 (0.32) ALDH1A1MAPTHSD11B1SMN1; SMN2
SCHEMBL2830695 0.66 HSD11B1 (0.41) 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 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 SIGMAR1 242/4885GRIN2D 308/4885GRIN3B 505/4885

“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.