SCHEMBL4839675

SCHEMBL4839675

CCCN(CCC)CCCSCC(=O)C1(c2ccc(Cl)c(Cl)c2)CCC1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.45
CHRM1 P11229 2/20 0.45
SLC6A4 P31645 15/20 0.39
SLC6A3 Q01959 15/20 0.39
SLC6A2 P23975 8/20 0.39
OPRM1 P35372 1/20 0.38

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
SCHEMBL7375153 0.93 CHRM2 (0.53) CHRM2CHRM1SLC6A4SLC6A3SLC6A2
SCHEMBL649003 0.88 SLC6A4 (0.45) CHRM2CHRM1SLC6A4SLC6A3SLC6A2
Hydrochloric Acid SCHEMBL7368877 0.87 SLC6A4 (0.44) CHRM2CHRM1SLC6A4SLC6A3SLC6A2
SCHEMBL4837226 0.86 SLC6A4 (0.45) CHRM2CHRM1SLC6A4SLC6A3SLC6A2
SCHEMBL4837893 0.86 CHRM2 (0.54) CHRM2CHRM1SLC6A4SLC6A3SLC6A2
Hydrochloric Acid SCHEMBL8529509 0.85 CHRM2 (0.53) CHRM2CHRM1SLC6A4SLC6A3SLC6A2
Hydrochloric Acid SCHEMBL8529249 0.85 SLC6A4 (0.44) CHRM2CHRM1SLC6A4SLC6A3SLC6A2
SCHEMBL4831862 0.85 SLC6A4 (0.44) CHRM2CHRM1SLC6A4SLC6A3SLC6A2
Hydrochloric Acid SCHEMBL7374494 0.84 SLC6A4 (0.43) CHRM2CHRM1SLC6A4SLC6A3SLC6A2
SCHEMBL4834581 0.83 SLC6A4 (0.47) CHRM2CHRM1SLC6A4SLC6A3SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7407990-B2 Therapeutic Agents KNOLL GMBH (DE) 2008-08-05 US claimed
US-20070129445-A1 Therapeutic Agents KNOLL GMBH (DE) 2007-06-07 US claimed
US-6974840-B1 Therapeutic agents KNOLL GMBH (DE) 2005-12-13 US claimed
US-20050182141-A1 Therapeutic agents LUSCOMBE GRAHAM P (GB) 2005-08-18 US claimed
EP-1198229-A1 THERAPEUTIC AGENTS Knoll GmbH (DE) 2002-04-24 EP claimed
WO-2001001979-A1 THERAPEUTIC AGENTS KNOLL GMBH (DE) 2001-01-11 WO claimed
EP-0715620-B1 1-ARYLCYCLOALKYL SULPHIDES, SULPHOXIDES AND SULPHONES FOR THE TREATMENT OF DEPRESSION, ANXIETY AND PARKINSON'S DISEASE KNOLL AG (DE) 1998-10-28 EP claimed
EP-0715620-A1 1-ARYLCYCLOALKYL SULPHIDES, SULPHOXIDES AND SULPHONES FOR THE TREATMENT OF DEPRESSION, ANXIETY AND PARKINSON'S DISEASE Knoll AG (DE) 1996-06-12 EP claimed
WO-1994026704-A1 1-ARYLCYCLOALKYL SULPHIDES, SULPHOXIDES AND SULPHONES FOR THE TREATMENT OF DEPRESSION, ANXIETY AND PARKINSON'S DISEASE THE BOOTS COMPANY PLC (GB) 1994-11-24 WO claimed
US-7407990-B2 Therapeutic Agents KNOLL GMBH (DE) 2008-08-05 US disclosed
US-20070129445-A1 Therapeutic Agents KNOLL GMBH (DE) 2007-06-07 US disclosed
US-20050182141-A1 Therapeutic agents LUSCOMBE GRAHAM P (GB) 2005-08-18 US disclosed
EP-1198229-A1 THERAPEUTIC AGENTS Knoll GmbH (DE) 2002-04-24 EP disclosed
WO-2001001979-A1 THERAPEUTIC AGENTS KNOLL GMBH (DE) 2001-01-11 WO disclosed
EP-0715620-B1 1-ARYLCYCLOALKYL SULPHIDES, SULPHOXIDES AND SULPHONES FOR THE TREATMENT OF DEPRESSION, ANXIETY AND PARKINSON'S DISEASE KNOLL AG (DE) 1998-10-28 EP disclosed
US-5652271-A ANTIDEPRESSANTS, NERVOUS SYSTEM DISORDERS KNOLL AKTIENGESELLSCHAFT (DE) 1997-07-29 US disclosed
EP-0715620-A1 1-ARYLCYCLOALKYL SULPHIDES, SULPHOXIDES AND SULPHONES FOR THE TREATMENT OF DEPRESSION, ANXIETY AND PARKINSON'S DISEASE Knoll AG (DE) 1996-06-12 EP disclosed
WO-1994026704-A1 1-ARYLCYCLOALKYL SULPHIDES, SULPHOXIDES AND SULPHONES FOR THE TREATMENT OF DEPRESSION, ANXIETY AND PARKINSON'S DISEASE THE BOOTS COMPANY PLC (GB) 1994-11-24 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-20070129445-A1 Therapeutic Agents OPRM1, CNR1, SIGMAR1 CHRM2 20/4885CHRM1 15/4885SLC6A4 189/4885
US-20050182141-A1 Therapeutic agents OPRM1, CNR1, SIGMAR1 CHRM2 24/4885CHRM1 18/4885SLC6A4 212/4885

“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.