SCHEMBL22535530

SCHEMBL22535530

Cc1cc(C(C)(C)C)nn1C1CCN(C)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.46
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36
HRH4 Q9H3N8 3/20 0.35
SIGMAR1 Q99720 2/20 0.34
TMEM97 Q5BJF2 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GRN P28799 1/20 0.33
SORT1 Q99523 1/20 0.33
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR1A P08908 1/20 0.32
HTR1B P28222 1/20 0.32
HTR1F P30939 1/20 0.32
ADRA1A P35348 1/20 0.32
HRH1 P35367 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
SCHEMBL12847478 0.88 MAPK13 (0.40) ALOX15MAPK13MAPK12MAPK11MAPK14
SCHEMBL16805955 0.86 ALOX15 (0.45) ALOX15GAASMN1; SMN2SIGMAR1KDM4E
SCHEMBL25793180 0.83 GAA (0.50) ALOX15GAASMN1; SMN2MAPK13MAPK12
SCHEMBL9906372 0.80 GAA (0.38) ALOX15GAASMN1; SMN2MAPK13MAPK12
SCHEMBL13135665 0.80 ALOX15 (0.51) ALOX15GAASMN1; SMN2SIGMAR1HTR2A
SCHEMBL25243311 0.79 MAPK14 (0.58) ALOX15GAAMAPK13MAPK12MAPK11
SCHEMBL18164015 0.77 GAA (0.38) ALOX15GAASMN1; SMN2KDM4E
SCHEMBL24816280 0.75 MAPK13 (0.33) ALOX15GAASMN1; SMN2MAPK13MAPK12
SCHEMBL24007543 0.75 FPR1 (0.40) MAPK13MAPK12MAPK11MAPK14SIGMAR1
SCHEMBL25793179 0.75 MAPK14 (0.54) MAPK13MAPK12MAPK11MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10800760-B2 Trk inhibition NANTBIO, INC. (US) 2020-10-13 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 (1 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-10800760-B2 Trk inhibition NTRK1, NTRK3, NTRK2 ALOX15 3594/4885GAA 4536/4885SMN1; SMN2 2372/4885

“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.