SCHEMBL5122013

SCHEMBL5122013

CC(C)(C)C1CC(O)(c2cc(F)cc(S(C)(=O)=O)c2)CCN1C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.35
S1PR2 O95136 1/20 0.34
NR1H2 P55055 9/20 0.33
NR1H3 Q13133 7/20 0.33
MC4R P32245 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
RORC P51449 4/20 0.31
CACNA1B Q00975 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
SCHEMBL18689716 0.75 DRD2 (0.44)
SCHEMBL14077925 0.74 S1PR2 (0.41) S1PR2
SCHEMBL3387388 0.73 MC4R (0.40) MC4RRORC
SCHEMBL3386011 0.73 KCNN4 (0.39)
SCHEMBL1010168 0.73 GPR119 (0.48) S1PR2GPR119
SCHEMBL5188937 0.71 S1PR2 (0.39) S1PR2
SCHEMBL4150693 0.71 OPRM1 (0.34) CNR2
SCHEMBL3772170 0.69 OPRL1 (0.38) MC4R
SCHEMBL17350664 0.68 HSD11B1 (0.35)
SCHEMBL1576654 0.68 CYP1A2 (0.47)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8501777-B2 1-ethyl-4-[3-fluoro-5-(methylsulfonyl)phenyl]piperidine; central nervous system disorders, Parkinson's disease, Parkinsonism, dyskinesias, including L-DOPA induced dyskinesias, dystonias, tics, tremor, Huntington disease NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2013-08-06 US disclosed
US-20080234321-A1 3,5-Disubstituted Phenyl-Piperidines as Modulators of Dopamine Neurotransmission SANIONA AB (DK) 2008-09-25 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-20080234321-A1 3,5-Disubstituted Phenyl-Piperidines as Modulators of Dopamine Neurotransmission SLC6A3, DRD2, DRD3 CNR2 70/4885S1PR2 547/4885NR1H2 1601/4885

“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.