SCHEMBL4823943

SCHEMBL4823943

CCN1CCC(c2cccc(OS(C)(=O)=O)c2)CC1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 12/20 0.65
DRD3 P35462 6/20 0.65
SIGMAR1 Q99720 1/20 0.53
DRD1 P21728 3/20 0.50
DRD4 P21917 3/20 0.50
DRD5 P21918 3/20 0.50
HRH3 Q9Y5N1 2/20 0.47
HTR6 P50406 1/20 0.46
SLC6A4 P31645 1/20 0.42

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
SCHEMBL3453568 0.90 DRD2 (0.77) DRD2DRD3SIGMAR1DRD1DRD4
SCHEMBL4819648 0.88 DRD2 (0.67) DRD2DRD3SIGMAR1DRD1DRD4
SCHEMBL4828687 0.86 DRD2 (0.67) DRD2DRD3SIGMAR1DRD1DRD4
SCHEMBL8350724 0.82 DRD2 (0.79) DRD2
SCHEMBL10180417 0.82 DRD2 (0.64) DRD2DRD3DRD1DRD4DRD5
SCHEMBL9956924 0.80 DRD2 (0.63) DRD2DRD3DRD1DRD4DRD5
SCHEMBL4824639 0.80 DRD2 (0.80) DRD2DRD3SIGMAR1HRH3HTR6
SCHEMBL7352788 0.79 DRD2 (1.00) DRD2DRD3SIGMAR1DRD1DRD4
SCHEMBL6654964 0.78 DRD2 (0.58) DRD2DRD3SIGMAR1DRD4SLC6A4
SCHEMBL23858272 0.77 DRD2 (0.56) DRD2DRD3DRD1DRD4DRD5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE46117-E1 Modulators of dopamine neurotransmission TEVA PHARMACEUTICALS INTERNATIONAL GMBH (CH) 2016-08-23 US disclosed
US-7417043-B2 Modulators of dopamine neurotransmission NEUROSEARCH SWEDEN AB (SE) 2008-08-26 US disclosed
US-20060135531-A1 Modulators of dopamine neurotransmission A. CARLSSON RESEARCH AB (SE) 2006-06-22 US disclosed
EP-1240142-B1 NEW MODULATORS OF DOPAMINE NEUROTRANSMISSION CARLSSON A RESEARCH AB (SE) 2005-10-19 EP disclosed
US-6903120-B2 A 4-(phenyl-N- alkyl)-piperidine derivatives for treatment of central nervous system disorders, Parkinson disease, anxiety, dyskinesias, dystonias, Tourette's disease, psychoses, hallucinoses, sleep disorder, autism A. CARLSSON RESEARCH AB (SE) 2005-06-07 US disclosed
EP-1428822-A2 1-phenylpiperazine derivative as modulators of dopamine neurotransmission A. Carlsson Research AB (SE) 2004-06-16 EP disclosed
US-20030139423-A1 Modulators of dopamine neurotransmission TEVA PHARMACEUTICALS INTERNATIONAL GMBH (CH) 2003-07-24 US disclosed
EP-1240142-A1 NEW MODULATORS OF DOPAMINE NEUROTRANSMISSION A. Carlsson Research AB (SE) 2002-09-18 EP disclosed
WO-2001046145-A1 NEW MODULATORS OF DOPAMINE NEUROTRANSMISSION A. CARLSSON RESEARCH AB (SE) 2001-06-28 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 (2 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-20060135531-A1 Modulators of dopamine neurotransmission SLC6A3, BRS3, CHRNA3 DRD2 18/4885DRD3 5/4885SIGMAR1 54/4885
US-20030139423-A1 Modulators of dopamine neurotransmission OPRD1, OPRK1, OPRM1 DRD2 16/4885DRD3 8/4885SIGMAR1 9/4885

“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.