SCHEMBL23220401

SCHEMBL23220401

NCN1CCC(c2ccc(F)c(F)c2)C1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
USP30 Q70CQ3 1/20 0.41
USP5 P45974 2/20 0.39
ADRA1A P35348 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
CCR2 P41597 2/20 0.39
DRD2 P14416 4/20 0.38
DRD3 P35462 3/20 0.38
HTR1A P08908 2/20 0.37
DRD1 P21728 2/20 0.37
DRD4 P21917 2/20 0.37
DRD5 P21918 2/20 0.37
SLC6A4 P31645 2/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A3 Q01959 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 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
SCHEMBL13698209 0.84 DRD2 (0.45) ADRA1ADRD2DRD3HTR1ADRD1
SCHEMBL7530735 0.81 ADRA1A (0.50) HTR2AADRA1ADRD2DRD3HTR1A
SCHEMBL13975328 0.81 SLC18A3 (0.50) USP30ADRA1ADRD2DRD3HTR1A
SCHEMBL13974994 0.79 DRD3 (0.61) ADRA1ADRD2DRD3HTR1ADRD1
SCHEMBL13974509 0.78 CTSC (0.47) ADRA1ADRD2DRD3HTR1ADRD1
SCHEMBL22415916 0.78 CTSC (0.47) ADRA1ADRD2DRD3HTR1ADRD1
SCHEMBL1820343 0.77 SLC6A2 (0.49) HTR2AHTR2CHTR2BUSP30DRD2
SCHEMBL1823936 0.77 USP30 (0.42) HTR2AHTR2CHTR2BUSP30USP5
SCHEMBL27812593 0.74 USP30 (0.41) HTR2AHTR2CHTR2BUSP30SLC6A4
SCHEMBL19995581 0.74 PDE4B (0.55) USP30ALDH1A1HTT

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-10975083-B2 Blood-brain barrier-penetrant dopamine-β-hydroxylase inhibitors BIAL—PORTELA & CA, S.A. (PT) 2021-04-13 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-10975083-B2 Blood-brain barrier-penetrant dopamine-β-hydroxylase inhibitors DBH, SLC6A3, SLC6A2 HTR2A 233/4885HTR2C 289/4885HTR2B 72/4885

“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.