SCHEMBL6137115

SCHEMBL6137115

OCC1CC1c1cn(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
SIRT2 Q8IXJ6 14/20 0.35
FLT3 P36888 1/20 0.35
TYRO3 Q06418 1/20 0.35
MERTK Q12866 1/20 0.35
GAS6 Q14393 1/20 0.35

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
SCHEMBL6699094 1.00 ENPP2 (0.40) ENPP2CYP11B1CYP11B2SIRT2FLT3
Trifluoroacetic Acid SCHEMBL6788517 0.92 ENPP2 (0.36) ENPP2SIRT2FLT3TYRO3MERTK
Trifluoroacetic Acid SCHEMBL6697901 0.92 ENPP2 (0.36) ENPP2SIRT2FLT3TYRO3MERTK
SCHEMBL6138239 0.86 HTR2C (0.44) ENPP2CYP11B1CYP11B2
SCHEMBL6138252 0.86 HTR2C (0.44) ENPP2CYP11B1CYP11B2
SCHEMBL20525220 0.83 ENPP2 (0.38) ENPP2CYP11B1CYP11B2SIRT2FLT3
SCHEMBL8846420 0.83 ENPP2 (0.43) ENPP2CYP11B1CYP11B2SIRT2FLT3
SCHEMBL7779693 0.83 ENPP2 (0.43) ENPP2CYP11B1CYP11B2SIRT2FLT3
SCHEMBL7784260 0.83 ENPP2 (0.43) ENPP2CYP11B1CYP11B2SIRT2FLT3
SCHEMBL7779691 0.83 ENPP2 (0.43) ENPP2CYP11B1CYP11B2SIRT2FLT3

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
EP-1313470-A4 NOVEL ALICYCLIC IMIDAZOLES AS H 3 AGENTS GLIATECH INC (US) 2005-02-16 EP disclosed
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
EP-1313470-A1 NOVEL ALICYCLIC IMIDAZOLES AS H 3 AGENTS GLIATECH, INC. (US) 2003-05-28 EP disclosed
US-20020042400-A1 Novel alicyclic imidazoles as H3 agents GLIATECH, INC. 2002-04-11 US disclosed
WO-2002013821-A1 NOVEL ALICYCLIC IMIDAZOLES AS H3 AGENTS GLIATECH, INC. (US) 2002-02-21 WO 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.