SCHEMBL3554782

SCHEMBL3554782

COC(=O)C(c1ccc(Cl)cc1)C1CCCC1

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 7/20 0.72
SLC6A2 P23975 3/20 0.67
SLC6A4 P31645 3/20 0.67

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
SCHEMBL9644018 0.94 SLC6A3 (0.62) SLC6A3SLC6A2SLC6A4
SCHEMBL9154015 0.86 SLC6A3 (0.65) SLC6A3SLC6A2SLC6A4
SCHEMBL4247382 0.86 SLC6A3 (0.65) SLC6A3SLC6A2SLC6A4
SCHEMBL13701464 0.84 SLC6A3 (0.63) SLC6A3SLC6A2SLC6A4
SCHEMBL14390374 0.84 SLC6A3 (0.63) SLC6A3SLC6A2SLC6A4
SCHEMBL4206472 0.84 SLC6A3 (0.65) SLC6A3SLC6A2SLC6A4
SCHEMBL10006175 0.84 SLC6A3 (1.00) SLC6A3SLC6A2SLC6A4
SCHEMBL4950911 0.83 SLC6A3 (0.63) SLC6A3SLC6A2SLC6A4
SCHEMBL5736102 0.82 SLC6A3 (0.52) SLC6A3SLC6A2SLC6A4
SCHEMBL6902106 0.81 SLC6A3 (0.53) SLC6A3SLC6A2SLC6A4

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-2649045-B1 SUBSTITUTED 1-BENZYLCYCLOALKYLCARBOXLIC ACIDS AND USE THEREOF BAYER IP GMBH (DE) 2015-05-27 EP disclosed
US-9018258-B2 Substituted 1-benzylcycloalkylcarboxylic acids and the use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-28 US disclosed
US-9018258-B2 Substituted 1-benzylcycloalkylcarboxylic acids and the use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-28 US disclosed
US-20120172448-A1 Substituted 1-benzylcycloalkylcarboxylic acids and the use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-07-05 US disclosed
US-20120172448-A1 Substituted 1-benzylcycloalkylcarboxylic acids and the use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-07-05 US disclosed
US-7727998-B2 Melanin-concentrating hormone receptor antagonists containing piperidine derivatives as the active ingredient BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-06-01 US disclosed
US-20090233965-A1 Alkyl Esters Of Cyclic Amino Alcohols With Muscarinic M3 Receptor Antagonist Activity, Useful For Treating E.G. Chronic Bronchial Obstruction, Asthma And Overactive Bladder ASTRAZENECA AB (SE) 2009-09-17 US disclosed
US-20090233965-A1 Alkyl Esters Of Cyclic Amino Alcohols With Muscarinic M3 Receptor Antagonist Activity, Useful For Treating E.G. Chronic Bronchial Obstruction, Asthma And Overactive Bladder ASTRAZENECA AB (SE) 2009-09-17 US disclosed
WO-2007123465-A1 NEW ALKYL ESTERS OF CYCLIC AMINO ALCOHOLS WITH MUSCARINIC M3 RECEPTOR ANTAGONIST ACTIVITY, USEFUL FOR TREATING E.G. CHRONIC BRONCHIAL OBSTRUCTION, ASTHMA AND OVERACTIVE BLADDER ASTRAZENECA AB (SE) 2007-11-01 WO disclosed
US-20060106046-A1 Melanin-concentrating hormone receptor antagonists containing piperidine derivatives as the active ingredient MSD K.K. (JP) 2006-05-18 US disclosed
EP-1595867-A1 MELANIN-CONCENTRATING HORMONE RECEPTOR ANTAGONISTS CONTAINING PIPERIDINE DERIVATIVES AS THE ACTIVE INGREDIENT BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-11-16 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 (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-20090233965-A1 Alkyl Esters Of Cyclic Amino Alcohols With Muscarinic M3 Receptor Antagonist Activity, Useful For Treating E.G. Chronic Bronchial Obstruction, Asthma And Overactive Bladder CHRM3, CHRM2, CHRM1 SLC6A3 2623/4885SLC6A2 3245/4885SLC6A4 3589/4885
US-20120172448-A1 Substituted 1-benzylcycloalkylcarboxylic acids and the use thereof PC, ACACA, PCCA SLC6A3 3041/4885SLC6A2 2481/4885SLC6A4 3325/4885
US-20060106046-A1 Melanin-concentrating hormone receptor antagonists containing piperidine derivatives as the active ingredient MCHR1, MC1R, PRLHR SLC6A3 616/4885SLC6A2 713/4885SLC6A4 590/4885

“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.