SCHEMBL1012525

SCHEMBL1012525

Cc1cc(C)c(N2CCN(c3c(C)cc(C)cc3C)C2N2CCOCC2)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 5/20 0.39
MAPT P10636 2/20 0.39
MAPK1 P28482 1/20 0.39
CRHR1 P34998 1/20 0.37
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.34
TP53 P04637 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP2A13 Q16696 1/20 0.33
PDE4D Q08499 1/20 0.33

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
SCHEMBL19346384 0.87 ALDH1A1 (0.35) SMN1; SMN2HTTALDH1A1MAPTPOLB
SCHEMBL1011133 0.82 POLB (0.42) SMN1; SMN2HTTALDH1A1MAPTPOLB
SCHEMBL18027642 0.74 CRHR1 (0.49) SMN1; SMN2HTTALDH1A1MAPTMAPK1
SCHEMBL10029427 0.71 HRH3 (0.37) SMN1; SMN2HTTALDH1A1MAPTPOLB
SCHEMBL13038554 0.71 ALDH1A1 (0.34) SMN1; SMN2HTTALDH1A1MAPTPOLB
SCHEMBL30523298 0.70 ALDH1A1 (0.36) SMN1; SMN2HTTALDH1A1MAPTPOLB
SCHEMBL28043256 0.70 ALDH1A1 (0.36) SMN1; SMN2HTTALDH1A1MAPTPOLB
SCHEMBL14246510 0.70 ALDH1A1 (0.40) SMN1; SMN2HTTALDH1A1MAPTMAPK1
SCHEMBL21562371 0.70 ALDH1A1 (0.36) SMN1; SMN2HTTALDH1A1MAPTPOLB
SCHEMBL34468662 0.70 ALDH1A1 (0.36) SMN1; SMN2HTTALDH1A1MAPTPOLB

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1372844-B1 HIGH ACTIVITY METAL CARBENE METATHESIS CATALYSTS GENERATED USING A THERMALLY ACTIVATED N-HETEROCYCLIC CARBENE PRECURSOR CALIFORNIA INST OF TECHN (US) 2011-01-05 EP claimed
EP-1372844-A4 HIGH ACTIVITY METAL CARBENE METATHESIS CATALYSTS GENERATED USING A THERMALLY ACTIVATED N-HETEROCYCLIC CARBENE PRECURSOR CALIFORNIA INST OF TECHN (US) 2005-10-12 EP claimed
US-6838489-B2 High activity metal carbene metathesis catalysts generated using a thermally activated N-heterocyclic carbene precursor CYMETECH, LLC (US) 2005-01-04 US claimed
EP-1372844-A1 HIGH ACTIVITY METAL CARBENE METATHESIS CATALYSTS GENERATED USING A THERMALLY ACTIVATED N-HETEROCYCLIC CARBENE PRECURSOR California Institute of Technology (US) 2004-01-02 EP claimed
WO-2003097562-A2 HIGH ACTIVITY METAL CARBENE METATHESIS CATALYSTS GENERATED USING A THERMALLY ACTIVATED N-HETEROCYCLIC CARBENE PRECURSOR CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2003-11-27 WO claimed
US-20030144437-A1 High activity metal carbene metathesis catalysts generated using a thermally activated N-heterocyclic carbene precursor STERLING JA, L.C. 2003-07-31 US claimed
US-20030083445-A1 High activity metal carbene metathesis catalysts generated using a thermally activated N-heterocyclic carbene precursor STERLING JA, L.C. 2003-05-01 US claimed
WO-2002076613-A1 HIGH ACTIVITY METAL CARBENE METATHESIS CATALYSTS GENERATED USING A THERMALLY ACTIVATED N-HETEROCYCLIC CARBENE PRECURSOR CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2002-10-03 WO claimed
US-20120241250-A1 Aerial Work Platforms and Aerial Work Platform Assemblies Comprised of Polymerized Cycloolefin Monomers EAKIN GEORGE R (US) 2012-09-27 US disclosed
EP-1372844-B1 HIGH ACTIVITY METAL CARBENE METATHESIS CATALYSTS GENERATED USING A THERMALLY ACTIVATED N-HETEROCYCLIC CARBENE PRECURSOR CALIFORNIA INST OF TECHN (US) 2011-01-05 EP disclosed
EP-1372844-A4 HIGH ACTIVITY METAL CARBENE METATHESIS CATALYSTS GENERATED USING A THERMALLY ACTIVATED N-HETEROCYCLIC CARBENE PRECURSOR CALIFORNIA INST OF TECHN (US) 2005-10-12 EP disclosed
US-6838489-B2 High activity metal carbene metathesis catalysts generated using a thermally activated N-heterocyclic carbene precursor CYMETECH, LLC (US) 2005-01-04 US disclosed
EP-1372844-A1 HIGH ACTIVITY METAL CARBENE METATHESIS CATALYSTS GENERATED USING A THERMALLY ACTIVATED N-HETEROCYCLIC CARBENE PRECURSOR California Institute of Technology (US) 2004-01-02 EP disclosed
WO-2003097562-A2 HIGH ACTIVITY METAL CARBENE METATHESIS CATALYSTS GENERATED USING A THERMALLY ACTIVATED N-HETEROCYCLIC CARBENE PRECURSOR CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2003-11-27 WO disclosed
US-20030144437-A1 High activity metal carbene metathesis catalysts generated using a thermally activated N-heterocyclic carbene precursor STERLING JA, L.C. 2003-07-31 US disclosed
US-20030083445-A1 High activity metal carbene metathesis catalysts generated using a thermally activated N-heterocyclic carbene precursor STERLING JA, L.C. 2003-05-01 US disclosed
WO-2002076613-A1 HIGH ACTIVITY METAL CARBENE METATHESIS CATALYSTS GENERATED USING A THERMALLY ACTIVATED N-HETEROCYCLIC CARBENE PRECURSOR CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2002-10-03 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-20030144437-A1 High activity metal carbene metathesis catalysts generated using a thermally activated N-heterocyclic carbene precursor NQO1, NIT2, ALOX5 SMN1; SMN2 1687/4885TSHR 4822/4885HTT 2113/4885
US-20030083445-A1 High activity metal carbene metathesis catalysts generated using a thermally activated N-heterocyclic carbene precursor NQO1, NIT2, ALOX5 SMN1; SMN2 1687/4885TSHR 4822/4885HTT 2113/4885

“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.