SCHEMBL4406532

SCHEMBL4406532

CC(C)(C)OC(=O)N1CCN2C(=O)c3cccc(Cl)c3OCC2C1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KRAS P01116 3/20 0.44
USP30 Q70CQ3 2/20 0.43
STS P08842 2/20 0.41
TP53 P04637 1/20 0.41
SMARCA2 P51531 1/20 0.39
SMARCA4 P51532 1/20 0.39
PBRM1 Q86U86 1/20 0.39
MAPK8 P45983 1/20 0.37
POLB P06746 1/20 0.37
IL1B P01584 1/20 0.37
P2RX7 Q99572 1/20 0.37
SCN9A Q15858 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
BRD4 O60885 2/20 0.36
PDK4 Q16654 1/20 0.36
CNR1 P21554 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL4410161 0.88 USP30 (0.43) KRASUSP30TP53SMARCA2SMARCA4
SCHEMBL4414949 0.87 HTR2A (0.43) KRASUSP30TP53SMARCA2SMARCA4
SCHEMBL24069695 0.84 KRAS (0.45) KRASUSP30STSTP53SMARCA2
SCHEMBL23512791 0.84 KRAS (0.45) KRASUSP30STSTP53SMARCA2
SCHEMBL24558201 0.84 KRAS (0.45) KRASUSP30STSTP53SMARCA2
SCHEMBL29693180 0.84 KRAS (0.45) KRASUSP30STSTP53SMARCA2
SCHEMBL4412319 0.84 USP30 (0.43) KRASUSP30STSTP53MAPK8
SCHEMBL4408213 0.83 USP30 (0.43) USP30TP53SMARCA2SMARCA4PBRM1
SCHEMBL23512533 0.82 USP30 (0.40) KRASUSP30STSTP53SMARCA2
SCHEMBL23512867 0.82 USP30 (0.40) KRASUSP30STSTP53SMARCA2

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-20090318412-A1 Tricyclic heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-24 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-20090318412-A1 Tricyclic heterocyclic compound and use thereof HTR2C, HTR2A, HTR5A KRAS 3418/4885USP30 4369/4885STS 538/4885

“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.