SCHEMBL6703350

SCHEMBL6703350

N#C[C@@H]1C[C@H]1c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.40
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
FLT3 P36888 1/20 0.31
TYRO3 Q06418 1/20 0.31
MERTK Q12866 1/20 0.31
GAS6 Q14393 1/20 0.31
SIRT2 Q8IXJ6 2/20 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
SCHEMBL6700681 1.00 ENPP2 (0.40) ENPP2CYP11B1CYP11B2FLT3TYRO3
SCHEMBL8518543 0.86 ENPP2 (0.40) ENPP2CYP11B1CYP11B2FLT3TYRO3
SCHEMBL8518538 0.86 ENPP2 (0.40) ENPP2CYP11B1CYP11B2FLT3TYRO3
SCHEMBL8846372 0.81 ENPP2 (0.44) ENPP2CYP11B1CYP11B2FLT3TYRO3
SCHEMBL8846881 0.81 ENPP2 (0.42) ENPP2CYP11B1CYP11B2FLT3TYRO3
SCHEMBL20525220 0.81 ENPP2 (0.38) ENPP2CYP11B1CYP11B2FLT3TYRO3
SCHEMBL7784260 0.80 ENPP2 (0.43) ENPP2CYP11B1CYP11B2FLT3TYRO3
SCHEMBL7979145 0.80 ENPP2 (0.43) ENPP2CYP11B1CYP11B2FLT3TYRO3
SCHEMBL7779693 0.80 ENPP2 (0.43) ENPP2CYP11B1CYP11B2FLT3TYRO3
SCHEMBL30210402 0.80 ENPP2 (0.43) ENPP2CYP11B1CYP11B2FLT3TYRO3

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
US-6794405-B2 Alicyclic imidazoles as H3 agents MERCK & CO., INC. 2004-09-21 US disclosed
US-20040029943-A1 Novel alicylic imidazoles as H3 agents MERCK SHARP & DOHME CORP. 2004-02-12 US disclosed
US-20020042400-A1 Novel alicyclic imidazoles as H3 agents GLIATECH, INC. 2002-04-11 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 (2 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-20040029943-A1 Novel alicylic imidazoles as H3 agents HRH3, HRH2, HRH4 ENPP2 440/4885CYP11B1 1442/4885CYP11B2 1187/4885
US-20020042400-A1 Novel alicyclic imidazoles as H3 agents HRH3, HRH2, HRH4 ENPP2 401/4885CYP11B1 1345/4885CYP11B2 1051/4885

“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.