SCHEMBL224774

SCHEMBL224774

CCC(=Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 14/20 0.36
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
ENPP2 Q13822 1/20 0.33
FLT3 P36888 1/20 0.32
TYRO3 Q06418 1/20 0.32
MERTK Q12866 1/20 0.32
GAS6 Q14393 1/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
CYP19A1 P11511 1/20 0.32

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
SCHEMBL224773 1.00 SIRT2 (0.36) SIRT2CYP11B1CYP11B2ENPP2FLT3
SCHEMBL2741599 1.00 SIRT2 (0.36) SIRT2CYP11B1CYP11B2ENPP2FLT3
SCHEMBL223715 0.81 CYP11B1 (0.36) SIRT2CYP11B1CYP11B2ENPP2
SCHEMBL2741592 0.81 CYP11B1 (0.36) SIRT2CYP11B1CYP11B2ENPP2
SCHEMBL223714 0.81 CYP11B1 (0.36) SIRT2CYP11B1CYP11B2ENPP2
SCHEMBL224814 0.79 CYP11B1 (0.35) SIRT2CYP11B1CYP11B2ENPP2
SCHEMBL224813 0.79 CYP11B1 (0.35) SIRT2CYP11B1CYP11B2ENPP2
SCHEMBL2741583 0.79 CYP11B1 (0.35) SIRT2CYP11B1CYP11B2ENPP2
SCHEMBL7621404 0.77 CYP11B1 (0.40) SIRT2CYP11B1CYP11B2ENPP2CYP19A1
SCHEMBL7796077 0.76 AKR1C3 (0.42) SIRT2CYP11B1CYP11B2

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-8399463-B2 Imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2013-03-19 US disclosed
US-20120004230-A1 IMIDAZOLE DERIVATIVES GALLEY GUIDO (DE) 2012-01-05 US disclosed
US-20100204233-A1 IMIDAZOLE DERIVATIVES GALLEY GUIDO 2010-08-12 US disclosed
EP-2094668-A2 4-IMIDAZOLINES AS TAAR'S LIGANDS F. Hoffmann-Roche AG (CH) 2009-09-02 EP disclosed
WO-2008074679-A2 4-IMIDAZOLINES AS TAAR'S LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2008-06-26 WO disclosed
US-20080146523-A1 IMIDAZOLE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-06-19 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 (3 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-20100204233-A1 IMIDAZOLE DERIVATIVES TAAR1, TAAR5, TACR1 SIRT2 3927/4885CYP11B1 540/4885CYP11B2 522/4885
US-20120004230-A1 IMIDAZOLE DERIVATIVES TAAR1, TAAR5, TACR1 SIRT2 3927/4885CYP11B1 540/4885CYP11B2 522/4885
US-20080146523-A1 IMIDAZOLE DERIVATIVES TAAR1, TAAR5, TACR1 SIRT2 3927/4885CYP11B1 540/4885CYP11B2 522/4885

“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.