SCHEMBL9906372

SCHEMBL9906372

CC(C)c1cc(C(C)(C)C)nn1C1CCN(C)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALOX15 P16050 1/20 0.37
MAPK13 O15264 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37
MAPK14 Q16539 1/20 0.37
KDM4E B2RXH2 2/20 0.33
GRN P28799 1/20 0.33
SORT1 Q99523 1/20 0.33
HRH4 Q9H3N8 3/20 0.33
MDM4 O15151 1/20 0.32
MDM2 Q00987 1/20 0.32
HSD11B1 P28845 1/20 0.31
HTR2A P28223 2/20 0.30
HTR2C P28335 2/20 0.30
ADRA1A P35348 1/20 0.30
HRH1 P35367 1/20 0.30
ADRA1B P35368 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL12789846 0.89 MAPK13 (0.40) GAAMAPK13MAPK12MAPK11MAPK14
SCHEMBL19954525 0.87 SMN1; SMN2 (0.37) GAASMN1; SMN2ALOX15HTR2AHTR2C
SCHEMBL9906365 0.86 MAPK13 (0.47) MAPK13MAPK12MAPK11MAPK14KDM4E
SCHEMBL22535530 0.80 ALOX15 (0.46) GAASMN1; SMN2ALOX15MAPK13MAPK12
SCHEMBL18161146 0.80 ALOX15 (0.43) GAASMN1; SMN2ALOX15MDM4MDM2
SCHEMBL19954637 0.79 ALDH1A1 (0.34) HTR2AHTR2C
SCHEMBL25793180 0.79 GAA (0.50) GAASMN1; SMN2ALOX15MAPK13MAPK12
SCHEMBL21023585 0.77 GAA (0.41) GAASMN1; SMN2ALOX15MDM4MDM2
SCHEMBL21023784 0.75 NR3C2 (0.36) GAAKDM4EMAPTNPSR1
SCHEMBL19105611 0.75 TGFBR1 (0.35) GAAKDM4E

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-8198308-B2 Chemical compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-12 US disclosed
US-8198308-B2 Chemical compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-12 US disclosed
US-20110059938-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-10 US disclosed
US-20110059938-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-10 US disclosed
US-20080182837-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-31 US disclosed
WO-2008003770-A1 PHENYL SUBSTITUTED HETEROARYL-DERIVATIVES AND USE THEREOF AS ANTI-TUMOR AGENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-01-10 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-20110059938-A1 NEW CHEMICAL COMPOUNDS CCNA1, CCNT1, MKI67 GAA 773/4885SMN1; SMN2 1953/4885ALOX15 781/4885
US-20080182837-A1 NEW CHEMICAL COMPOUNDS CCNA1, CCNT1, MKI67 GAA 773/4885SMN1; SMN2 1953/4885ALOX15 781/4885

“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.