SCHEMBL21787323

SCHEMBL21787323

C=CC(=O)N1CCC(N(C)CC(C)C)CC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.44
MCHR1 Q99705 1/20 0.42
TEAD1 P28347 4/20 0.41
IDH1 O75874 1/20 0.37
IDH2 P48735 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TEAD3 Q99594 1/20 0.36
KDM4E B2RXH2 1/20 0.36
JAK3 P52333 4/20 0.36
FGFR1 P11362 2/20 0.36
BTK Q06187 1/20 0.35
DCUN1D1 Q96GG9 1/20 0.34

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
SCHEMBL21787541 0.84 PIK3CD (0.39) PIK3CDMCHR1TEAD1JAK3BTK
SCHEMBL20322723 0.83 JAK3 (0.40) MCHR1TEAD1IDH1IDH2TEAD3
SCHEMBL26227804 0.81 PIK3CD (0.49) PIK3CDMCHR1HSD17B10KDM4E
SCHEMBL21106061 0.80 MCHR1 (0.47) PIK3CDMCHR1HSD17B10KDM4E
SCHEMBL31387583 0.79 L3MBTL3 (0.51) TEAD1TEAD3JAK3BTKDCUN1D1
SCHEMBL31387587 0.79 L3MBTL3 (0.51) TEAD1TEAD3JAK3BTKDCUN1D1
SCHEMBL21106943 0.78 PIK3CD (0.46) PIK3CDMCHR1HSD17B10KDM4E
SCHEMBL25663931 0.78 PIK3CD (0.49) PIK3CDMCHR1HSD17B10KDM4E
SCHEMBL25883657 0.77 POLB (0.46) PIK3CDMCHR1HSD17B10KDM4E
SCHEMBL21787327 0.76 TEAD1 (0.38) TEAD1HSD17B10TEAD3JAK3FGFR1

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-11149032-B2 Inhibitors of mutant isocitrate dehydrogenases and compositions and methods thereof ISOCURE BIOSCIENCES INC. (US) 2021-10-19 US disclosed
US-20200071309-A1 INHIBITORS OF MUTANT ISOCITRATE DEHYDROGENASES AND COMPOSITIONS AND METHODS THEREOF ISOCURE BIOSCIENCES INC (US) 2020-03-05 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-11149032-B2 Inhibitors of mutant isocitrate dehydrogenases and compositions and methods thereof IDH1, IDH2, IDH3A PIK3CD 651/4885MCHR1 4761/4885TEAD1 3585/4885
US-20200071309-A1 INHIBITORS OF MUTANT ISOCITRATE DEHYDROGENASES AND COMPOSITIONS AND METHODS THEREOF IDH1, IDH2, IDH3A PIK3CD 651/4885MCHR1 4761/4885TEAD1 3585/4885

“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.