SCHEMBL9714837

SCHEMBL9714837

OCCSC(c1ccccc1)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 3/20 0.63
CYP1A2 P05177 2/20 0.63
CYP3A4 P08684 2/20 0.63
CYP2D6 P10635 2/20 0.63
CYP2C9 P11712 2/20 0.63
TSHR P16473 2/20 0.63
SLC6A4 P31645 2/20 0.63
CYP2C19 P33261 2/20 0.63
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
APAF1 O14727 1/20 0.39
MAP2K7 O14733 1/20 0.39
NPC1 O15118 1/20 0.39
GMNN O75496 1/20 0.39
TDP2 O95551 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
PLA2G1B P04054 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 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
SCHEMBL10997007 0.89 SLC6A3 (0.52) SLC6A3CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL30434109 0.79 CYP1A2 (0.45) SLC6A3CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL30434010 0.79 CYP1A2 (0.45) SLC6A3CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8693156 0.78 CYP1A2 (0.39) SLC6A3CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL7382538 0.78 SLC6A3 (0.49) SLC6A3TSHRALDH1A1LMNAMAPT
SCHEMBL13934689 0.78 TRPA1 (0.44) SLC6A3CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL7959062 0.77 SLC6A3 (0.63) SLC6A3CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL17429837 0.77 SLC6A3 (0.63) SLC6A3CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL16011833 0.77 SLC6A3 (0.63) SLC6A3CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL7439094 0.77 SLC6A3 (1.00) 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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11555013-B2 Potent and selective inhibitors of monoamine transporters; method of making; and use thereof THE USA, AS REPRESENTED BY THE SECRETARY, DHHS (US) 2023-01-17 US disclosed
EP-2964611-B1 POTENT AND SELECTIVE INHIBITORS OF MONOAMINE TRANSPORTERS; METHOD OF MAKING; AND USE THEREOF US HEALTH (US) 2022-10-19 EP disclosed
EP-2964611-B1 POTENT AND SELECTIVE INHIBITORS OF MONOAMINE TRANSPORTERS; METHOD OF MAKING; AND USE THEREOF US HEALTH (US) 2022-10-19 EP disclosed
US-20210130288-A1 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 2021-05-06 US disclosed
US-20210130288-A1 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 2021-05-06 US disclosed
US-10913711-B2 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) 2021-02-09 US disclosed
US-10913711-B2 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) 2021-02-09 US disclosed
US-10590074-B2 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) 2020-03-17 US disclosed
US-10590074-B2 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) 2020-03-17 US disclosed
US-20190185424-A1 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 2019-06-20 US disclosed
US-20160009644-A1 POTENT AND SELECTIVE INHIBITORS OF MONOAMINE TRANSPORTERS; METHOD OF MAKING; AND USE THEREOF The United States of America, as represented by th Secretary, Department of Health and Human Service (US) 2016-01-14 US disclosed
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-5116988-A Antiepileptic WARNER-LAMBERT CO. (US) 1992-05-26 US disclosed
US-5053521-A 3-amino butyric acid uptake inhibitors, antiepileptic agents WARNER-LAMBERT COMPANY (US) 1991-10-01 US disclosed
EP-0221572-B1 N-SUBSTITUTED 3-PIPERIDINE-OR 3-PYRIDINE-CARBOXYLIC ACIDS AND DERIVATIVES THEREOF WARNER-LAMBERT COMPANY (US) 1991-09-25 EP disclosed
US-4910312-A Containing 1-(2-(bis((4-trifluoromethylphenyl)methoxy)-ethyl)-substitution WARNER-LAMBERT COMPANY (US) 1990-03-20 US disclosed
EP-0346927-A2 Various N-substituted 3-piperidine carboxylic acids or N-substituted 3-pyridine-carboxylic acids and derivatives thereof WARNER-LAMBERT COMPANY (US) 1989-12-20 EP disclosed
US-4772615-A ANTICONVULSANT FOR TREATING EPILEPSY WARNER-LAMBERT COMPANY (US) 1988-09-20 US disclosed
EP-0221572-A2 N-substituted 3-piperidine-or 3-pyridine-carboxylic acids and derivatives thereof WARNER-LAMBERT COMPANY (US) 1987-05-13 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 (6 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-20190185424-A1 POTENT AND SELECTIVE INHIBITORS OF MONOAMINE TRANSPORTERS; METHOD OF MAKING; AND USE THEREOF SLC6A2, SLC6A4, SLC6A3 SLC6A3 3/4885CYP1A2 580/4885CYP3A4 367/4885
US-10590074-B2 Potent and selective inhibitors of monoamine transporters; method of making; and use thereof SLC6A2, SLC6A4, SLC6A3 SLC6A3 3/4885CYP1A2 580/4885CYP3A4 367/4885
US-20210130288-A1 POTENT AND SELECTIVE INHIBITORS OF MONOAMINE TRANSPORTERS; METHOD OF MAKING; AND USE THEREOF SLC6A2, SLC6A4, SLC6A3 SLC6A3 3/4885CYP1A2 580/4885CYP3A4 367/4885
US-20160009644-A1 POTENT AND SELECTIVE INHIBITORS OF MONOAMINE TRANSPORTERS; METHOD OF MAKING; AND USE THEREOF SLC6A2, SLC6A4, SLC6A3 SLC6A3 3/4885CYP1A2 580/4885CYP3A4 367/4885
US-11555013-B2 Potent and selective inhibitors of monoamine transporters; method of making; and use thereof SLC6A2, SLC6A4, SLC6A3 SLC6A3 3/4885CYP1A2 580/4885CYP3A4 367/4885
US-10913711-B2 Potent and selective inhibitors of monoamine transporters; method of making; and use thereof SLC6A2, SLC6A4, SLC6A3 SLC6A3 3/4885CYP1A2 580/4885CYP3A4 367/4885

“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.