SCHEMBL12774635

SCHEMBL12774635

CCSC(c1ccccc1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 3/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
TSHR P16473 1/20 0.56
SLC6A4 P31645 1/20 0.56
CYP2C19 P33261 1/20 0.56
LMNA P02545 1/20 0.44
TAAR1 Q96RJ0 2/20 0.39
HTR2A P28223 1/20 0.39
HRH1 P35367 1/20 0.39

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
SCHEMBL17429837 0.81 SLC6A3 (0.63) SLC6A3CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL777788 0.80 LMNA (0.44) SLC6A3CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL19939782 0.80 CHRNA7 (0.41) SLC6A3CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL12128404 0.78 KMT2A (0.44) SLC6A3CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL12381822 0.76 LMNA (0.46) SLC6A3CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL19485917 0.76 DPP4 (0.44) SLC6A3CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL10967759 0.76 LMNA (0.41) SLC6A3CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL14288501 0.76 SLC6A3 (0.57) SLC6A3CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL7963041 0.75 SLC6A3 (0.56) SLC6A3CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6827648 0.75 SLC6A3 (0.61) SLC6A3CYP1A2CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2964611-A2 POTENT AND SELECTIVE INHIBITORS OF MONOAMINE TRANSPORTERS; METHOD OF MAKING; AND USE THEREOF The United States of America, as represented by The Secretary, Department of Health and Human Services (US) 2016-01-13 EP disclosed
WO-2014138518-A2 POTENT AND SELECTIVE INHIBITORS OF MONOAMINE TRANSPORTERS; METHOD OF MAKING; AND USE THEREOF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2014-09-12 WO disclosed
US-7915449-B2 Contacting the corresponding sulfur compound with complex, bas and oxidizer; oxidation; isolation CEPHALON FRANCE (FR) 2011-03-29 US disclosed
US-7812193-B2 Process for enantioselective synthesis of single enantiomers of modafinil by asymmetric oxidation CEPHALON FRANCE (FR) 2010-10-12 US disclosed
US-20080214868-A1 PROCESS FOR ENANTIOSELECTIVE SYNTHESIS OF SINGLE ENANTIOMERS OF MODAFINIL BY ASYMMETRIC OXIDATION CEPHALON FRANCE (FR) 2008-09-04 US disclosed
US-20080171896-A1 Process for Enantioselective Synthesis of Single Enantiomers of Modafinil by Asymmetric Oxidation CEPHALON FRANCE (FR) 2008-07-17 US disclosed
US-7368591-B2 Process for enantioselective synthesis of single enantiomers of modafinil by asymmetric oxidation CEPHALON FRANCE (FR) 2008-05-06 US disclosed
US-7317126-B2 Process for enantioselective synthesis of single enantiomers of modafinil by asymmetric oxidation CEPHALON FRANCE (FR) 2008-01-08 US disclosed
WO-2007007054-A1 PHTHALAMIDES, SUCCINIMIDES AND RELATED COMPOUNDS AND THEIR USE AS PHARMACEUTICALS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2007-01-18 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-20080171896-A1 Process for Enantioselective Synthesis of Single Enantiomers of Modafinil by Asymmetric Oxidation MAOA, CYP2F1, MAOB SLC6A3 561/4885CYP1A2 13/4885CYP3A4 25/4885
US-20080214868-A1 PROCESS FOR ENANTIOSELECTIVE SYNTHESIS OF SINGLE ENANTIOMERS OF MODAFINIL BY ASYMMETRIC OXIDATION CYP2F1, MAOA, MAOB SLC6A3 594/4885CYP1A2 11/4885CYP3A4 22/4885

“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.