SCHEMBL30062038

SCHEMBL30062038

N[C@@H]1CN(c2ccc3c(c2)OCCC3)C[C@@H]1F

nearest known ligand 0.32

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.32
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30
HTR1A P08908 1/20 0.30
ADRA2A P08913 1/20 0.30
DRD2 P14416 1/20 0.30
ADRA2C P18825 1/20 0.30
ADRA1D P25100 1/20 0.30
ADRA1A P35348 1/20 0.30
ADRA1B P35368 1/20 0.30
DRD3 P35462 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
OGA O60502 1/20 0.30
BACE1 P56817 1/20 0.30
BACE2 Q9Y5Z0 1/20 0.30

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
SCHEMBL30059724 1.00 ACACB (0.32) ACACBHTR2AHTR2CHTR2BHTR1A
SCHEMBL30061799 1.00 ACACB (0.32) ACACBHTR2AHTR2CHTR2BHTR1A
SCHEMBL30061843 0.81 CTNNB1 (0.34) ACACBHTR2AHTR2CHTR2BHTR1A
SCHEMBL30061776 0.81 CTNNB1 (0.34) ACACBHTR2AHTR2CHTR2BHTR1A
SCHEMBL24729729 0.79 ACACB (0.32) ACACBHTR1A
SCHEMBL23938406 0.79 ESR1 (0.31)
SCHEMBL24731275 0.76 BPTF (0.44) ACACB
SCHEMBL24595730 0.76 CHRNB2 (0.40) ACACBHTR2CHTR1AADRA2ADRD2
SCHEMBL24729859 0.71 ADRB1 (0.45) HTR2AHTR2CHTR2BHTR1ADRD2
SCHEMBL30059716 0.71 ADRB1 (0.45) HTR2AHTR2CHTR2BHTR1ADRD2

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-11524966-B1 Carboxamides as ubiquitin-specific protease inhibitors VALO HEALTH, INC. (US) 2022-12-13 US claimed

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-11524966-B1 Carboxamides as ubiquitin-specific protease inhibitors USP28, USP25, USP24 ACACB 1159/4885HTR2A 2135/4885HTR2C 1892/4885

“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.