SCHEMBL873812

SCHEMBL873812

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 11/20 1.00
DRD2 P14416 10/20 1.00
SIGMAR1 Q99720 4/20 0.75
DRD4 P21917 7/20 0.67
DRD1 P21728 5/20 0.67
DRD5 P21918 5/20 0.67
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
SCHEMBL873078 1.00 DRD3 (1.00) DRD3DRD2SIGMAR1DRD4DRD1
SCHEMBL873549 1.00 DRD3 (1.00) DRD3DRD2SIGMAR1DRD4DRD1
SCHEMBL29369425 1.00 DRD3 (1.00) DRD3DRD2SIGMAR1DRD4DRD1
Hydrochloric Acid SCHEMBL5678691 0.99 DRD3 (0.98) DRD3DRD2SIGMAR1DRD4DRD1
Hydrochloric Acid SCHEMBL5678697 0.99 DRD3 (0.98) DRD3DRD2SIGMAR1DRD4DRD1
Bromide SCHEMBL7023734 0.99 DRD3 (0.98) DRD3DRD2SIGMAR1DRD4DRD1
Bromide SCHEMBL5699015 0.99 DRD3 (0.98) DRD3DRD2SIGMAR1DRD4DRD1
Hydrochloric Acid SCHEMBL29634866 0.99 DRD3 (0.98) DRD3DRD2SIGMAR1DRD4DRD1
SCHEMBL6880380 0.92 DRD3 (0.84) DRD3DRD2SIGMAR1DRD4DRD1
SCHEMBL6881711 0.92 DRD3 (0.84) DRD3DRD2SIGMAR1DRD4DRD1

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
EP-2618826-B1 PHENYLPIPERIDINE COMPOUNDS FOR THE TREATMENT OF DEMENTIA CARLSSON A RESEARCH AB (SE) 2016-04-13 EP claimed
US-20130197032-A1 PHENYLPIPERIDINE COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS A. CARLSSON RESEARCH AB (SE) 2013-08-01 US claimed
EP-2618826-A1 PHENYLPIPERIDINE COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS A.Carlsson Research AB (SE) 2013-07-31 EP claimed
WO-2012039660-A1 PHENYLPIPERIDINE COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS A. CARLSSON RESEARCH AB (SE) 2012-03-29 WO claimed
EP-2618826-B1 PHENYLPIPERIDINE COMPOUNDS FOR THE TREATMENT OF DEMENTIA CARLSSON A RESEARCH AB (SE) 2016-04-13 EP disclosed
US-20130197032-A1 PHENYLPIPERIDINE COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS A. CARLSSON RESEARCH AB (SE) 2013-08-01 US disclosed
EP-2618826-A1 PHENYLPIPERIDINE COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS A.Carlsson Research AB (SE) 2013-07-31 EP disclosed
WO-2012039660-A1 PHENYLPIPERIDINE COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS A. CARLSSON RESEARCH AB (SE) 2012-03-29 WO disclosed
US-6962998-B2 Processes for producing racemic piperidine derivative and for producing optically active piperidine derivative TORAY INDUSTRIES, INC. (JP) 2005-11-08 US disclosed
US-20030130313-A1 Processes for producing racemic piperidine derivative and for producing optically active piperidine derivative TORAY FINE CHEMICALS CO., LTD. (JP) 2003-07-10 US disclosed
EP-1295873-A1 PROCESSES FOR PRODUCING RACEMIC PIPERIDINE DERIVATIVE AND FOR PRODUCING OPTICALLY ACTIVE PIPERIDINE DERIVATIVE TORAY INDUSTRIES, INC. (JP) 2003-03-26 EP 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-20030130313-A1 Processes for producing racemic piperidine derivative and for producing optically active piperidine derivative AMPD2, AMPD1, ITPA DRD3 40/4885DRD2 16/4885SIGMAR1 756/4885
US-20130197032-A1 PHENYLPIPERIDINE COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS HTR5A, HTR2A, HTR1A DRD3 186/4885DRD2 36/4885SIGMAR1 121/4885

“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.