SCHEMBL1273336

SCHEMBL1273336

CC(C)(C)[C@@]1(C(=O)NCc2ccccc2)C[C@@H](O)CN1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.46
OPRL1 P41146 4/20 0.43
SLC6A4 P31645 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RIPK1 Q13546 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TSHR P16473 2/20 0.40
OPRM1 P35372 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPK1 P28482 1/20 0.40
EPHX2 P34913 1/20 0.40
P2RX7 Q99572 1/20 0.40
MMP8 P22894 1/20 0.39
METAP2 P50579 1/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL17505973 0.91 FPR2 (0.40) HPGDMEN1KMT2AL3MBTL1
SCHEMBL1273271 0.83 MMP1 (0.42) HPGDOPRL1SLC6A4SMN1; SMN2RIPK1
SCHEMBL1272784 0.83 MMP1 (0.42) HPGDOPRL1SLC6A4SMN1; SMN2RIPK1
SCHEMBL17941126 0.81 VHL (0.54)
SCHEMBL5173018 0.78 OPRL1 (0.47) HPGDOPRL1SMN1; SMN2RIPK1MEN1
SCHEMBL6508899 0.78 OPRL1 (0.47) HPGDOPRL1SMN1; SMN2RIPK1MEN1
SCHEMBL3849116 0.75 MEN1 (0.39) SMN1; SMN2MEN1KMT2ATSHRMETAP2
SCHEMBL14968931 0.72 TSHR (0.46) HPGDOPRL1SMN1; SMN2RIPK1MEN1
SCHEMBL4976260 0.71 SLC6A2 (0.35) RIPK1KMT2ALMNA
SCHEMBL1020673 0.70

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-20110034469-A1 Heterocyclic Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-10 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-20110034469-A1 Heterocyclic Compound BIRC5, XIAP, BIRC2 HPGD 2842/4885OPRL1 2015/4885SLC6A4 1305/4885

“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.