SCHEMBL1795

SCHEMBL1795

O=COC1(c2ccc(Cl)cc2)CCC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 6/20 0.39
HDAC4 P56524 1/20 0.39
SLC6A4 P31645 4/20 0.38
SLC6A3 Q01959 4/20 0.38
HSD17B10 Q99714 1/20 0.35
DRD2 P14416 1/20 0.35
SLC6A2 P23975 2/20 0.35
LIG1 P18858 1/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL2318965 0.96 HDAC4 (0.42) HSD11B1HDAC4SLC6A4SLC6A3SLC6A2
SCHEMBL694701 0.94 SLC6A4 (0.44) HSD11B1HDAC4SLC6A4SLC6A3SLC6A2
SCHEMBL75311 0.92 HSD17B10 (0.38) HSD11B1HDAC4SLC6A4SLC6A3HSD17B10
SCHEMBL5641960 0.80 DRD3 (0.43) HDAC4
SCHEMBL8747444 0.78 SLC6A4 (0.42) SLC6A4SLC6A3SLC6A2CYP3A4
SCHEMBL4678558 0.77 SMN1; SMN2 (0.39)
SCHEMBL5276713 0.77 SLC6A3 (0.42) HSD11B1SLC6A4SLC6A3SLC6A2
SCHEMBL4735252 0.76 DRD3 (0.46) HDAC4SLC6A4SLC6A3SLC6A2
SCHEMBL1807152 0.76 SLC6A3 (0.44) HSD11B1SLC6A4SLC6A3SLC6A2
SCHEMBL2861574 0.74 DRD3 (0.45) HDAC4SLC6A4SLC6A3SLC6A2

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 70 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102405211-B Proline derivatives as cathepsin inhibitors HOFFMANN LA ROCHE 2015-01-21 CN disclosed
CN-104244932-A Inhibitors of arginase and their therapeutic applications MARS INC 2014-12-24 CN disclosed
CN-102405211-A Proline derivatives as cathepsin inhibitors HOFFMANN LA ROCHE 2012-04-04 CN disclosed
EP-1532122-B1 11-beta-hydroxysteroid dehydrogenase 1 inhibitors useful for the treatment of diabetes, obesity and dyslipidemia MERCK SHARP & DOHME (US) 2011-12-14 EP disclosed
US-8044068-B2 Aminopyrrolidine compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-10-25 US disclosed
US-7816375-B2 Ligands for monoamine receptors and transporters, and methods of use thereof SEPRACOR INC. (US) 2010-10-19 US disclosed
US-7812035-B2 4-substituted piperidines, and methods of use thereof SEPRACOR INC. (US) 2010-10-12 US disclosed
US-20100093706-A1 MULTIMEDIATOR TRANSPORTER INHIBITORS FOR USE IN TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS PREXA PHARMACEUTICALS, INC. (US) 2010-04-15 US disclosed
US-20090291940-A1 AMINOPYRROLIDINE COMPOUND TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-11-26 US disclosed
CN-101573334-A Multi-mediator transporter inhibitors for the treatment of central nervous system disorders PREXA PHARMACEUTICALS INC (US) 2009-11-04 CN disclosed
US-4806570-A ANTIDEPRESSANTS THE BOOTS COMPANY PLC (GB) 1989-02-21 US disclosed
US-4767790-A ANTIDEPRESSANTS THE BOOTS COMPANY PLC (GB) 1988-08-30 US disclosed
US-4746680-A ANTIDEPRESSANTS THE BOOTS COMPANY P.L.C. (GB) 1988-05-24 US disclosed
US-4522828-A CYCLOBUTYLALKYLAMINE COMPOUNDS, ANTIDEPRESSANTS THE BOOTS COMPANY PLC (GB) 1985-06-11 US disclosed
US-4355042-A A CYCLOBUTANE CARBOXYLIC ACID DERIVATIVE COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANIZATION (AU) 1982-10-19 US disclosed
US-4348409-A MITICIDES, NEMATOCIDES COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANIZATION (AU) 1982-09-07 US disclosed
US-4339458-A HALOCYCLOBUTANECARBOXYLATES COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANIZATION (AU) 1982-07-13 US disclosed
EP-0002620-B1 CYCLOALKYL CARBOXYLIC ESTERS, INSECTICIDAL COMPOSITIONS CONTAINING THEM, AND METHODS FOR THEIR PREPARATION COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1981-11-25 EP disclosed
US-4235926-A DERIVATIVES OF CYCLOBUTANE COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANIZATION (AU) 1980-11-25 US disclosed
EP-0002620-A1 Cycloalkyl carboxylic esters, insecticidal compositions containing them, and methods for their preparation COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1979-06-27 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-20090291940-A1 AMINOPYRROLIDINE COMPOUND MC4R, MC5R, MC2R HSD11B1 3275/4885HDAC4 234/4885SLC6A4 19/4885
US-20100093706-A1 MULTIMEDIATOR TRANSPORTER INHIBITORS FOR USE IN TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS SLC6A4, SLC18A2, SLC6A2 HSD11B1 1208/4885HDAC4 1278/4885SLC6A4 1/4885

“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.