SCHEMBL7047849

SCHEMBL7047849

O=C(CBr)C1(c2ccc(Cl)c(Cl)c2)CCC1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 11/20 0.47
SLC6A4 P31645 10/20 0.47
CHRM2 P08172 3/20 0.46
CHRM1 P11229 3/20 0.46
SLC6A2 P23975 3/20 0.44
OPRM1 P35372 1/20 0.44
CCR2 P41597 1/20 0.42

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
SCHEMBL7366120 0.97 CHRM2 (0.49) SLC6A3SLC6A4CHRM2CHRM1SLC6A2
SCHEMBL16506943 0.84 SLC6A3 (0.55) SLC6A3SLC6A4CHRM2CHRM1SLC6A2
SCHEMBL1769960 0.82 HDAC4 (0.54) CHRM2CHRM1
SCHEMBL2023 0.82 OPRM1 (0.48) SLC6A3SLC6A4CHRM2CHRM1SLC6A2
SCHEMBL2795429 0.80 AKR1C3 (0.58) SLC6A3SLC6A4CHRM2CHRM1SLC6A2
SCHEMBL3517260 0.80 CHRM2 (0.54) SLC6A3SLC6A4CHRM2CHRM1SLC6A2
SCHEMBL7369535 0.80 SLC6A4 (0.44) SLC6A3SLC6A4SLC6A2CCR2
SCHEMBL16521037 0.80 SLC6A3 (0.45) SLC6A3SLC6A4CHRM2CHRM1SLC6A2
SCHEMBL7384834 0.80 HDAC4 (0.46) SLC6A3SLC6A4CHRM2CHRM1SLC6A2
SCHEMBL7895547 0.80 CHRM2 (0.51) SLC6A3SLC6A4CHRM2CHRM1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150057443-A1 Cycloalkyl Amine Compounds PREXA PHARMACEUTICALS, INC. 2015-02-26 US disclosed
US-20150057443-A1 Cycloalkyl Amine Compounds PREXA PHARMACEUTICALS, INC. 2015-02-26 US disclosed
US-20150057443-A1 Cycloalkyl Amine Compounds PREXA PHARMACEUTICALS, INC. 2015-02-26 US disclosed
WO-2015027058-A2 CYCLOLKYL AMINE COMPOUNDS PREXA PHARMACEUTICALS, INC. (US) 2015-02-26 WO disclosed
US-20030073681-A1 2-substituted piperidines that are ligands for monoamine receptors and transporters SEPRACOR INC. 2003-04-17 US disclosed
WO-2003016274-A2 2-SUBSTITUTED PIPERIDINES THAT ARE LIGANDS FOR MONOAMINE RECEPTORS AND TRANSPORTERS SEPRACOR, INC. (US) 2003-02-27 WO disclosed
EP-0970090-B1 SUBSTITUTED 4-ARYLMETHYLENE-2-IMINO-2,3-DIHYDROTHIAZOLES AND DERIVATIVES AND THEIR PHARMACEUTICAL USE KNOLL GMBH (DE) 2002-06-05 EP disclosed
US-6187802-B1 3-(1-(3,4-DICHLOROPHENYL)CYCLOBUTYL)-5,6-DIHYDROIMIDAZO(2,1-B) THIAZOLE, FOR EXAMPLE; ADMINISTERING TO TREAT DEPRESSION, ANXIETY, PARKINSON'S DISEASE, OBESITY, COGNITIVE DISORDERS, SEIZURES, AND FOR NEUROPROTECTION AGAINST STROKE KNOLL AKTIENGESELLSCHAFT (DE) 2001-02-13 US disclosed
EP-0970090-A1 SUBSTITUTED 4-ARYLMETHYLENE-2-IMINO-2,3-DIHYDROTHIAZOLES AND DERIVATIVES AND THEIR PHARMACEUTICAL USE Knoll AG (DE) 2000-01-12 EP 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
WO-1998041528-A1 SUBSTITUTED 4-ARYLMETHYLENE-2-IMINO-2,3-DIHYDROTHIAZOLES AND DERIVATIVES AND THEIR PHARMACEUTICAL USE KNOLL AKTIENGESELLSCHAFT (DE) 1998-09-24 WO 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-20150057443-A1 Cycloalkyl Amine Compounds HCRTR2, HCRTR1, HTR2C SLC6A3 108/4885SLC6A4 223/4885CHRM2 10/4885
US-20030073681-A1 2-substituted piperidines that are ligands for monoamine receptors and transporters HTR2C, HTR5A, HTR2A SLC6A3 10/4885SLC6A4 18/4885CHRM2 721/4885

“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.