SCHEMBL1010081

SCHEMBL1010081

Cc1ccc(N2CCN(c3ccc(C)c(C)c3)C2C(Cl)(Cl)Cl)cc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.43
CYP3A4 P08684 2/20 0.37
CYP2C19 P33261 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
TSHR P16473 1/20 0.37
ALDH1A1 P00352 5/20 0.37
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
MAPT P10636 5/20 0.35
GAA P10253 4/20 0.35
KDM4E B2RXH2 1/20 0.35
NOTUM Q6P988 1/20 0.34
HPGD P15428 2/20 0.33
LMNA P02545 1/20 0.33
MITF O75030 1/20 0.33
HTR1A P08908 1/20 0.32
ADRA2C P18825 1/20 0.32
DRD4 P21917 1/20 0.32
HTR2A P28223 1/20 0.32
CYP2D6 P10635 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
SCHEMBL11525936 0.85 L3MBTL1 (0.41) ADRB1NPSR1TSHRALDH1A1MAPT
SCHEMBL1011864 0.79 MAPT (0.47) ADRB1NPSR1ALDH1A1KMT2AMEN1
SCHEMBL1012216 0.77 MAPT (0.49) ADRB1NPSR1TSHRKMT2AMAPT
SCHEMBL1012161 0.76 NPSR1 (0.34) ADRB1NPSR1TSHRALDH1A1KMT2A
SCHEMBL1010938 0.76 LTA4H (0.33)
SCHEMBL11530804 0.74 MAPT (0.46) NPSR1TSHRALDH1A1KMT2AMEN1
SCHEMBL11526360 0.74 KAT2B (0.41) CYP2C19ALDH1A1KMT2AMEN1MAPT
SCHEMBL11527050 0.73 MAPT (0.40) ADRB1NPSR1ALDH1A1KMT2AMEN1
SCHEMBL11529526 0.73 HTR2A (0.44) ADRB1CYP3A4CYP2C19ALDH1A1KMT2A
SCHEMBL1011384 0.72 MAPT (0.38) NPSR1TSHRALDH1A1MAPTKDM4E

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 12 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
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
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
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

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 ADRB1 3670/4885CYP3A4 159/4885CYP2C19 785/4885
US-20030083445-A1 High activity metal carbene metathesis catalysts generated using a thermally activated N-heterocyclic carbene precursor NQO1, NIT2, ALOX5 ADRB1 3670/4885CYP3A4 159/4885CYP2C19 785/4885

“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.