SCHEMBL1823936

SCHEMBL1823936

ON1CCC(c2ccc(F)c(F)c2)C1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.42
USP5 P45974 2/20 0.41
HDAC6 Q9UBN7 1/20 0.41
SCD5 Q86SK9 1/20 0.37
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
QDPR P09417 1/20 0.37
ADRA1A P35348 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
CCR2 P41597 1/20 0.35

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
SCHEMBL1820929 0.85 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3HTR2AHTR2C
SCHEMBL1822924 0.85 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3
SCHEMBL1820343 0.79 SLC6A2 (0.49) USP30SLC6A2SLC6A4SLC6A3QDPR
SCHEMBL13975328 0.78 SLC18A3 (0.50) USP30SLC6A2SLC6A4SLC6A3ADRA1A
SCHEMBL23220401 0.77 HTR2A (0.44) USP30USP5HDAC6SLC6A2SLC6A4
SCHEMBL13698209 0.77 DRD2 (0.45) SLC6A4ADRA1A
SCHEMBL3014454 0.77 RAB9A (0.41) SCD5
SCHEMBL19995581 0.76 PDE4B (0.55) USP30SCD5
SCHEMBL1823350 0.76 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3
SCHEMBL14545786 0.76 DRD3 (0.46) USP30USP5HDAC6SLC6A2SLC6A4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2155669-B1 NEW DISUBSTITUTED PHENYLPYRROLIDINES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION NSAB AF NEUROSEARCH SWEDEN AB (DK) 2011-05-04 EP disclosed
US-20100197760-A1 DISUBSTITUTED PHENYLPYRROLIDINES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2010-08-05 US disclosed
EP-2155669-A1 NEW DISUBSTITUTED PHENYLPYRROLIDINES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION NSAB, Filial af NeuroSearch Sweden AB, Sverige (DK) 2010-02-24 EP disclosed
WO-2008148799-A1 NEW DISUBSTITUTED PHENYLPYRROLIDINES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION NSAB, FILIAL OF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2008-12-11 WO 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-20100197760-A1 DISUBSTITUTED PHENYLPYRROLIDINES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION SLC6A2, SLC6A3, SLC18A2 USP30 3003/4885USP5 2416/4885HDAC6 3398/4885

“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.