SCHEMBL4414949

SCHEMBL4414949

COc1cccc2c1OCC1CN(C(=O)OC(C)(C)C)CCN1C2=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.43
HTR2C P28335 2/20 0.43
HTR2B P41595 2/20 0.43
USP30 Q70CQ3 2/20 0.42
KRAS P01116 2/20 0.40
SMARCA2 P51531 1/20 0.39
SMARCA4 P51532 1/20 0.39
PBRM1 Q86U86 1/20 0.39
TNF P01375 2/20 0.38
LITAF Q99732 2/20 0.38
ROCK2 O75116 1/20 0.38
TP53 P04637 1/20 0.38
PDE4B Q07343 1/20 0.38
ALDH1A1 P00352 1/20 0.36
SCN9A Q15858 1/20 0.36
BACE1 P56817 1/20 0.36
ABL1 P00519 1/20 0.36
EGFR P00533 1/20 0.36
SRC P12931 1/20 0.36
ABL2 P42684 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 0.89 USP30 (0.43) USP30KRASSMARCA2SMARCA4PBRM1
SCHEMBL4406532 0.87 KRAS (0.44) USP30KRASSMARCA2SMARCA4PBRM1
SCHEMBL4410012 0.84 USP30 (0.42) HTR2AHTR2CHTR2BUSP30TNF
SCHEMBL4408213 0.83 USP30 (0.43) HTR2AHTR2CHTR2BUSP30SMARCA2
SCHEMBL24558084 0.82 KRAS (0.45) USP30KRASTNFLITAFSCN9A
SCHEMBL29693196 0.82 KRAS (0.45) USP30KRASTNFLITAFSCN9A
SCHEMBL29693097 0.81 KRAS (0.44) USP30KRASTNFLITAFROCK2
SCHEMBL24558469 0.81 KRAS (0.44) USP30KRASTNFLITAFROCK2
SCHEMBL24558102 0.81 KRAS (0.41) USP30KRASSMARCA2SMARCA4PBRM1
SCHEMBL24558466 0.80 TP53 (0.42) USP30KRASSMARCA2SMARCA4PBRM1

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 HTR2A 2/4885HTR2C 1/4885HTR2B 9/4885

“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.