SCHEMBL1010791

SCHEMBL1010791

CSc1cc(F)cc(C2(O)CCN(C(=O)OC(C)(C)C)CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.43
HDAC2 Q92769 2/20 0.39
HDAC1 Q13547 1/20 0.39
TACR1 P25103 1/20 0.39
S1PR2 O95136 1/20 0.38
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
SYK P43405 1/20 0.37
RORC P51449 3/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
ATM Q13315 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
DRD2 P14416 1/20 0.36
PDK2 Q15119 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
SCHEMBL3387610 0.89 HDAC2 (0.43) GPR119HDAC2HDAC1TACR1JAK2
SCHEMBL22266048 0.84 HDAC2 (0.41) GPR119HDAC2HDAC1TACR1JAK2
SCHEMBL7534118 0.84 HDAC2 (0.43) GPR119HDAC2HDAC1TACR1JAK2
SCHEMBL3385458 0.83 MEN1 (0.43) HDAC2HDAC1TACR1S1PR2OPRD1
SCHEMBL1010786 0.83 S1PR2 (0.40) S1PR2OPRD1OPRK1DRD2
SCHEMBL4820978 0.82 GPR119 (0.46) GPR119TACR1ALOX15TSHRATM
SCHEMBL2427136 0.82 RORC (0.44) GPR119HDAC2HDAC1TACR1JAK2
SCHEMBL3266179 0.81 RORC (0.51) HDAC2HDAC1S1PR2RORCDRD2
SCHEMBL1010168 0.81 GPR119 (0.48) GPR119S1PR2
SCHEMBL4293214 0.80 OPRM1 (0.49) GPR119HDAC2HDAC1TACR1RORC

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 5 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-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
EP-1948606-B1 3, 5-DISUBSTITUTED PHENYL-PIPERIDINES AS MODULATORS OF DOPAMINE NEUROTRANSMISSION NSAB AF NEUROSEARCH SWEDEN AB (DK) 2011-01-05 EP disclosed
US-20080234321-A1 3,5-Disubstituted Phenyl-Piperidines as Modulators of Dopamine Neurotransmission SANIONA AB (DK) 2008-09-25 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 GPR119 265/4885HDAC2 1278/4885HDAC1 1545/4885

“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.