SCHEMBL2925319

SCHEMBL2925319

CCCN1CCC[C@@H](c2cccc(S(=O)(=O)CC)c2)C1

nearest known ligand 0.82

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 12/20 0.82
DRD2 P14416 10/20 0.82
DRD4 P21917 7/20 0.67
DRD1 P21728 5/20 0.67
DRD5 P21918 5/20 0.67
SIGMAR1 Q99720 3/20 0.65
NFKB1 P19838 1/20 0.65
PRCP P42785 1/20 0.65
EBP Q15125 1/20 0.65

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
SCHEMBL1009681 1.00 DRD3 (0.82) DRD3DRD2DRD4DRD1DRD5
SCHEMBL873549 0.90 DRD3 (1.00) DRD3DRD2DRD4DRD1DRD5
SCHEMBL873078 0.90 DRD3 (1.00) DRD3DRD2DRD4DRD1DRD5
SCHEMBL29369425 0.90 DRD3 (1.00) DRD3DRD2DRD4DRD1DRD5
SCHEMBL873812 0.90 DRD3 (1.00) DRD3DRD2DRD4DRD1DRD5
Bromide SCHEMBL5699015 0.89 DRD3 (0.98) DRD3DRD2DRD4DRD1DRD5
SCHEMBL7347978 0.89 DRD3 (0.80) DRD3DRD2DRD4DRD1DRD5
Bromide SCHEMBL7023734 0.89 DRD3 (0.98) DRD3DRD2DRD4DRD1DRD5
Hydrochloric Acid SCHEMBL5678697 0.89 DRD3 (0.98) DRD3DRD2DRD4DRD1DRD5
SCHEMBL7347986 0.89 DRD3 (0.80) DRD3DRD2DRD4DRD1DRD5

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 15 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
EP-1428822-B1 1-phenylpiperazine derivative as modulators of dopamine neurotransmission NSAB AF NEUROSEARCH SWEDEN AB (DK) 2010-12-15 EP disclosed
US-RE41315-E1 Modulators of dopamine neurotransmission NSAB, FILIAL AF NEUROSEARCH SWEDEN AB (DE) 2010-05-04 US disclosed
US-7417043-B2 Modulators of dopamine neurotransmission NEUROSEARCH SWEDEN AB (SE) 2008-08-26 US disclosed
EP-1419773-B1 4-Phenylpiperidine derivatives as modulators of dopamine neurotransmission NEUROSEARCH SWEDEN AB (SE) 2008-06-04 EP 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-6924374-B2 Central nervous system disorders; psychological disorders A. CARLSSON RESEARCH AB (SE) 2005-08-02 US 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
EP-1419773-A2 4-Phenylpiperidine derivatives as modulators of dopamine neurotransmission A. Carlsson Research AB (SE) 2004-05-19 EP disclosed
US-20030139423-A1 Modulators of dopamine neurotransmission TEVA PHARMACEUTICALS INTERNATIONAL GMBH (CH) 2003-07-24 US disclosed
US-20030004169-A1 Modulators of dopamine neurotransmission NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2003-01-02 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 DRD3 5/4885DRD2 18/4885DRD4 26/4885
US-20030139423-A1 Modulators of dopamine neurotransmission OPRD1, OPRK1, OPRM1 DRD3 8/4885DRD2 16/4885DRD4 30/4885
US-20030004169-A1 Modulators of dopamine neurotransmission OPRD1, OPRK1, OPRM1 DRD3 22/4885DRD2 16/4885DRD4 19/4885

“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.