SCHEMBL4410012

SCHEMBL4410012

COc1cccc2c1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1CO2

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.42
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
TNF P01375 3/20 0.38
LITAF Q99732 3/20 0.38
PDE4B Q07343 2/20 0.38
TP53 P04637 1/20 0.38
ROCK2 O75116 1/20 0.37
ALDH1A1 P00352 1/20 0.36
SCN9A Q15858 1/20 0.36
BACE1 P56817 1/20 0.36
APLNR P35414 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
SCHEMBL4408961 0.87 USP30 (0.43) USP30TP53SCN9A
SCHEMBL4412319 0.87 USP30 (0.43) USP30TP53SCN9A
SCHEMBL4411273 0.85 USP30 (0.44) USP30HTR2AHTR2CHTR2BTP53
SCHEMBL4415998 0.85 USP30 (0.42) USP30HTR2AHTR2CHTR2BTP53
SCHEMBL24558077 0.85 USP30 (0.38) USP30PDE4BTP53ROCK2ALDH1A1
SCHEMBL4411286 0.85 USP30 (0.44) USP30BACE1
SCHEMBL29693114 0.85 USP30 (0.38) USP30PDE4BTP53ROCK2ALDH1A1
SCHEMBL4414949 0.84 HTR2A (0.43) USP30HTR2AHTR2CHTR2BTNF
SCHEMBL4418327 0.84 USP30 (0.40) USP30TP53SCN9A
SCHEMBL4410015 0.84 SCN9A (0.42) USP30TP53SCN9ABACE1

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 USP30 4369/4885HTR2A 2/4885HTR2C 1/4885

“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.