SCHEMBL12439809

SCHEMBL12439809

C=NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.38
GRIN2D O15399 4/20 0.38
GRIN3B O60391 4/20 0.38
GRIN1 Q05586 4/20 0.38
GRIN2A Q12879 4/20 0.38
GRIN2B Q13224 4/20 0.38
GRIN2C Q14957 4/20 0.38
GRIN3A Q8TCU5 4/20 0.38
LMNA P02545 2/20 0.38
SLC22A2 O15244 1/20 0.38
SLC22A1 O15245 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
STAT6 P42226 1/20 0.38
SLC47A1 Q96FL8 1/20 0.38
POLB P06746 1/20 0.36
THRB P10828 1/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL31254406 0.73 SIGMAR1 (0.42) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2915914 0.73 GRIN2D (0.42) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL18943720 0.71 SIGMAR1 (0.41) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4394773 0.69 SIGMAR1 (0.41) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL15827308 0.69 GRIN2D (0.38) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4972287 0.69 SIGMAR1 (0.38) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2479820 0.69 SIGMAR1 (0.45) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL985712 0.67 ABL1 (0.39) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL985709 0.67 ABL1 (0.39) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8976276 0.64 MEN1 (0.33) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A

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
EP-2099749-B1 C-H BOND AMINATION AND OLEFIN AZIRIDINATION WITH BETA-DIKETIMINATO COPPER CATALYSTS UNIV GEORGETOWN (US) 2015-09-23 EP disclosed
US-8471051-B2 C-H bond amination and olefin aziridination with β-diketiminato copper catalysts GEORGETOWN UNIVERSITY (US) 2013-06-25 US disclosed
WO-2011097642-A1 EFFICIENT METHODS FOR Z- OR CIS-SELECTIVE CROSS-METATHESIS TRUSTEES OF BOSTON COLLEGE (US) 2011-08-11 WO disclosed
WO-2009094201-A2 CATALYSTS FOR METATHESIS REACTONS INCLUDING ENANTIOSELECTIVE OLEFIN METATHESIS, AND RELATED METHODS TRUSTEES OF BOSTON COLLEGE (US) 2009-07-30 WO disclosed
US-7547731-B2 Formamide derivatives for the treatment of diseases PFIZER INC (US) 2009-06-16 US disclosed
US-20080207689-A1 Formamide Derivatives For The Treatment of Diseases PFIZER INC 2008-08-28 US disclosed
US-7241810-B2 Formamide derivatives for the treatment of diseases PFIZER INC (US) 2007-07-10 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-20080207689-A1 Formamide Derivatives For The Treatment of Diseases FH, FAH, HRH4 SIGMAR1 4073/4885GRIN2D 3361/4885GRIN3B 3005/4885

“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.