SCHEMBL21085244

SCHEMBL21085244

Cc1cc(C)c(C2CCN(C(=O)OC(C)(C)C)CC2)nn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.52
THRB P10828 2/20 0.52
MAPT P10636 1/20 0.52
JAK2 O60674 1/20 0.47
JAK1 P23458 1/20 0.47
TYK2 P29597 1/20 0.47
JAK3 P52333 1/20 0.47
GPR119 Q8TDV5 6/20 0.46
HTT P42858 2/20 0.45
TP53 P04637 1/20 0.45
EPHX2 P34913 1/20 0.44
EPHX1 P07099 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
CRHBP P24387 1/20 0.44
KMT2A Q03164 1/20 0.44
CRHR2 Q13324 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL21045705 0.88 TRPC6 (0.51) KDM4ETHRBMAPTJAK2JAK1
SCHEMBL30439861 0.88 TRPC6 (0.51) KDM4ETHRBMAPTJAK2JAK1
SCHEMBL20135077 0.82 MAPT (0.52) KDM4ETHRBMAPTJAK2JAK1
SCHEMBL21607236 0.80 GPR119 (0.48) GPR119
SCHEMBL15167906 0.79 MAPT (0.49) KDM4ETHRBMAPTJAK2JAK1
SCHEMBL30366127 0.79 MEN1 (0.49) KDM4ETHRBMAPTGPR119TP53
SCHEMBL30899639 0.79 MEN1 (0.49) KDM4ETHRBMAPTGPR119TP53
SCHEMBL15180524 0.78 TP53 (0.48) KDM4ETHRBMAPTJAK2JAK1
SCHEMBL30926272 0.77 KDM4E (0.49) KDM4ETHRBMAPTJAK2JAK1
SCHEMBL38653743 0.77 THRB (0.46) KDM4ETHRBMAPTJAK2JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10889568-B2 Inhibitors of TRPC6 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-01-12 US disclosed
US-20190169168-A1 INHIBITORS OF TRPC6 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-06-06 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-20190169168-A1 INHIBITORS OF TRPC6 TRPC6, TRPC1, TRPC7 KDM4E 3581/4885THRB 1358/4885MAPT 2284/4885
US-10889568-B2 Inhibitors of TRPC6 TRPC6, TRPC1, TRPC7 KDM4E 3581/4885THRB 1358/4885MAPT 2284/4885

“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.