SCHEMBL13624060

SCHEMBL13624060

CC(C)(C)c1ccc(N2CCN(CC(F)(F)F)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.47
MAPT P10636 3/20 0.46
HRH3 Q9Y5N1 2/20 0.46
DRD4 P21917 2/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 2/20 0.43
NPC1 O15118 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
DRD2 P14416 1/20 0.43
SMO Q99835 2/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
GAA P10253 1/20 0.41
RAD52 P43351 1/20 0.41
GFER P55789 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
USP2 O75604 1/20 0.41

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
SCHEMBL18161390 0.86 MAPT (0.48) HSD11B1MAPTHRH3DRD4TSHR
SCHEMBL12082892 0.83 MAPT (0.51) MAPTDRD4DRD2KDM4EGAA
SCHEMBL20178041 0.82 HSD11B1 (0.57) HSD11B1MAPTHRH3DRD4TSHR
SCHEMBL12666601 0.81 GAA (0.62) HSD11B1MAPTHRH3DRD4TSHR
SCHEMBL22875958 0.80 CA12 (0.56) HSD11B1MAPTDRD4MAPK1NPC1
SCHEMBL24123587 0.80 HRH3 (0.52) HSD11B1MAPTHRH3DRD4TSHR
SCHEMBL13634499 0.80 REV1 (0.48) MAPTTSHRMAPK1NPC1DRD2
SCHEMBL13049822 0.80 DRD4 (0.52) DRD4DRD2PPARDPPARAHTR6
SCHEMBL2723507 0.79 IGF1R (0.49) MAPTDRD4TSHRDRD2HTR6
SCHEMBL30041149 0.79 MAPT (0.57) MAPTDRD4DRD2KDM4EALDH1A1

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-20090291945-A1 CYSTEINE PROTEASE INHIBITORS TEIJIN PHARMA LIMITED (JP) 2009-11-26 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-20090291945-A1 CYSTEINE PROTEASE INHIBITORS CTSE, SPINT2, CTSF HSD11B1 1706/4885MAPT 480/4885HRH3 2874/4885

“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.