SCHEMBL649003

SCHEMBL649003

CN(C)CCCSCC(=O)C1(c2ccc(Cl)c(Cl)c2)CCC1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 15/20 0.45
SLC6A3 Q01959 14/20 0.45
SLC6A2 P23975 6/20 0.45
CHRM2 P08172 2/20 0.42
CHRM1 P11229 2/20 0.42
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
Hydrochloric Acid SCHEMBL7368877 0.99 SLC6A4 (0.44) SLC6A4SLC6A3SLC6A2CHRM2CHRM1
SCHEMBL4837226 0.98 SLC6A4 (0.45) SLC6A4SLC6A3SLC6A2CHRM2CHRM1
SCHEMBL4831862 0.97 SLC6A4 (0.44) SLC6A4SLC6A3SLC6A2CHRM2CHRM1
Hydrochloric Acid SCHEMBL8529249 0.97 SLC6A4 (0.44) SLC6A4SLC6A3SLC6A2CHRM2CHRM1
Hydrochloric Acid SCHEMBL7374494 0.96 SLC6A4 (0.43) SLC6A4SLC6A3SLC6A2CHRM2CHRM1
Fumaric Acid SCHEMBL8846221 0.94 SLC6A4 (0.40) SLC6A4SLC6A3SLC6A2CHRM2CHRM1
Fumaric Acid SCHEMBL8846236 0.94 SLC6A4 (0.40) SLC6A4SLC6A3SLC6A2CHRM2CHRM1
SCHEMBL4834581 0.93 SLC6A4 (0.47) SLC6A4SLC6A3SLC6A2CHRM2CHRM1
Hydrochloric Acid SCHEMBL7372762 0.92 SLC6A4 (0.46) SLC6A4SLC6A3SLC6A2CHRM2CHRM1
Citric Acid SCHEMBL7367089 0.89 ACLY (0.38) SLC6A4SLC6A3SLC6A2CHRM2CHRM1

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 53 patents — showing the first 20. 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-9034852-B2 Substituted phenoxy N-alkylated thiazolidinediones as estrogen related receptor-α modulators JANSSEN PHARMACEUTICA N.V. (BE) 2015-05-19 US disclosed
US-8796256-B2 Substituted thiazolidinedione indazoles, indoles and benzotriazoles as estrogen-related receptor-α modulators JANSSEN PHARMACEUTICA NV (BE) 2014-08-05 US disclosed
EP-2536717-B1 AMINOTHIAZOLONES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-06-04 EP disclosed
EP-2536716-B1 AMINOTHIAZOLONES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-05-21 EP disclosed
US-8580832-B2 Substituted phenoxy aminothiazolones as estrogen related receptor-α modulators JANSSEN PHARMACEUTICA N.V. (BE) 2013-11-12 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 SLC6A4 189/4885SLC6A3 33/4885SLC6A2 112/4885
US-20050182141-A1 Therapeutic agents OPRM1, CNR1, SIGMAR1 SLC6A4 212/4885SLC6A3 34/4885SLC6A2 119/4885

“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.