SCHEMBL4828684

SCHEMBL4828684

CC(C)N1CCC(c2cccc(S(C)(=O)=O)c2)CC1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.64
SIGMAR1 Q99720 1/20 0.64
DRD3 P35462 4/20 0.53
KCNH2 Q12809 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
NR1H2 P55055 4/20 0.44
NR1H3 Q13133 3/20 0.44
VCP P55072 1/20 0.42
HTR6 P50406 2/20 0.41
KIF18A Q8NI77 1/20 0.40
KDM2B Q8NHM5 1/20 0.39

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
SCHEMBL4827611 0.87 DRD2 (0.65) DRD2SIGMAR1DRD3HRH3NR1H2
SCHEMBL24489459 0.84 DRD2 (0.72) DRD2SIGMAR1DRD3HRH3HTR6
SCHEMBL24612002 0.83 DRD2 (0.66) DRD2SIGMAR1DRD3NR1H2NR1H3
SCHEMBL15450839 0.82 DRD2 (0.67) DRD2SIGMAR1DRD3HRH3NR1H2
SCHEMBL18408681 0.82 DRD2 (0.67) DRD2SIGMAR1DRD3HRH3NR1H2
SCHEMBL4823136 0.82 DRD2 (0.70) DRD2SIGMAR1DRD3HRH3NR1H2
SCHEMBL4824639 0.80 DRD2 (0.80) DRD2SIGMAR1DRD3HRH3HTR6
SCHEMBL22458966 0.80 DRD2 (0.64) DRD2SIGMAR1DRD3HRH3NR1H2
SCHEMBL10181371 0.80 DRD2 (0.62) DRD2SIGMAR1DRD3NR1H2NR1H3
SCHEMBL18408690 0.79 DRD2 (0.67) DRD2SIGMAR1DRD3NR1H2NR1H3

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 11 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-8148404-B2 Modulators of CB1 receptors 7TM PHARMA A/S (DK) 2012-04-03 US disclosed
US-20100144701-A1 Modulators of CB1 Receptors 7TM PHARMA A/S (DK) 2010-06-10 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 (3 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 18/4885SIGMAR1 54/4885DRD3 5/4885
US-20030139423-A1 Modulators of dopamine neurotransmission OPRD1, OPRK1, OPRM1 DRD2 16/4885SIGMAR1 9/4885DRD3 8/4885
US-20100144701-A1 Modulators of CB1 Receptors CNR1, CNR2, GPR6 DRD2 415/4885SIGMAR1 259/4885DRD3 301/4885

“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.