SCHEMBL1740905

SCHEMBL1740905

CCC(Cc1ccc2c(c1)OOC2)NC

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 4/20 0.48
SLC6A4 P31645 5/20 0.44
SLC6A2 P23975 2/20 0.38
SLC6A3 Q01959 2/20 0.38
TAAR1 Q96RJ0 2/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL23069137 0.89 HTR1B (0.37) HTR1BSLC6A4SLC6A2SLC6A3TAAR1
SCHEMBL113567 0.82 TAAR1 (0.57) HTR1BSLC6A4SLC6A2SLC6A3TAAR1
SCHEMBL15902430 0.82 TAAR1 (0.57) HTR1BSLC6A4SLC6A2SLC6A3TAAR1
SCHEMBL23069122 0.80 SLC6A4 (0.36) SLC6A4SLC6A2SLC6A3TAAR1CYP2D6
SCHEMBL715095 0.77 SIGMAR1 (0.45) SLC6A4SLC6A2SLC6A3TAAR1CYP2D6
Hydrochloric Acid SCHEMBL5301739 0.76 SIGMAR1 (0.44) SLC6A4SLC6A2SLC6A3TAAR1CYP2D6
SCHEMBL1316541 0.76 TAAR1 (0.55) SLC6A4SLC6A2SLC6A3TAAR1
SCHEMBL7317921 0.75 LOXL2 (0.35) HTR1BSLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL2418814 0.75 SIGMAR1 (0.48) SLC6A4SLC6A2SLC6A3TAAR1CYP2D6
SCHEMBL25080230 0.75 TAAR1 (0.68) HTR1BSLC6A4SLC6A2SLC6A3TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050130312-A1 Method for the detection of compounds comprising methylenedioxyphenyl and testing kit for the same GLATTSTEIN BARUCH (IL) 2005-06-16 US claimed
WO-2003052426-A1 A METHOD FOR THE DETECTION OF COMPOUNDS COMPRISING METHYLENEDIOXYPHENYL AND TESTING KIT FOR THE SAME GLATTSTEIN ORA (IL) 2003-06-26 WO claimed
US-12043605-B2 Deuterated empathogens ALEXANDER SHULGIN RESEARCH INSTITUTE, INC. (US) 2024-07-23 US disclosed
EP-4392028-A1 DEUTERATED EMPATHOGENS Alexander Shulgin Research Institute, Inc. (US) 2024-07-03 EP disclosed
US-20240189296-A1 TRYPTAMINE COMPOSITIONS FOR ENHANCING NEURITE OUTGROWTH TURTLE BEAR HOLDINGS LLC (US) 2024-06-13 US disclosed
US-20240122914-A1 TRYPTAMINE COMPOSITIONS FOR ENHANCING NEURITE OUTGROWTH TURTLE BEAR HOLDINGS LLC (US) 2024-04-18 US disclosed
US-20240124411-A1 Deuterated Empathogens ALEXANDER SHULGIN RESEARCH INSTITUTE, INC. 2024-04-18 US disclosed
US-20240122913-A1 TRYPTAMINE COMPOSITIONS FOR ENHANCING NEURITE OUTGROWTH TURTLE BEAR HOLDINGS LLC (US) 2024-04-18 US disclosed
US-20240108640-A1 TRYPTAMINE COMPOSITIONS FOR ENHANCING NEURITE OUTGROWTH TURTLE BEAR HOLDINGS LLC (US) 2024-04-04 US disclosed
US-20240082274-A1 FUNGAL COMPOUND COMPOSITIONS AND METHODS FOR MODULATING INFLAMMATION TURTLE BEAR HOLDINGS, LLC 2024-03-14 US disclosed
EP-4333838-A1 FUNGAL COMPOUND COMPOSITIONS AND METHODS FOR MODULATING INFLAMMATION Turtle Bear Holdings, LLC (US) 2024-03-13 EP disclosed
EP-1167976-B1 Immunoassay for the detection of amphetamines and derivatives thereof ROCHE DIAGNOSTICS GMBH (DE) 2007-12-05 EP disclosed
US-20070148660-A1 Treatment of maladaptive substance use with H-ras antagonists THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2007-06-28 US disclosed
US-20060258647-A1 Treatment of maladaptive substance use with cholecystokinin (CCK) antagonists THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2006-11-16 US disclosed
US-20060178307-A1 Modulation of NMDA receptor currents via orexin receptor and/or CRF receptor THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2006-08-10 US disclosed
US-6946547-B2 Ecstasy-class analogs and use of same in detection of ecstasy-class compounds MICROGENICS CORPORATION (US) 2005-09-20 US disclosed
US-20050130312-A1 Method for the detection of compounds comprising methylenedioxyphenyl and testing kit for the same GLATTSTEIN BARUCH (IL) 2005-06-16 US disclosed
US-20030207469-A1 Ecstasy-class analogs and use of same in detection of ecstasy-class compounds MICROGENICS CORPORATION (US) 2003-11-06 US disclosed
WO-2003052426-A1 A METHOD FOR THE DETECTION OF COMPOUNDS COMPRISING METHYLENEDIOXYPHENYL AND TESTING KIT FOR THE SAME GLATTSTEIN ORA (IL) 2003-06-26 WO disclosed
EP-1167976-A2 Immunoassay for the detection of amphetamines and derivatives thereof BOEHRINGER MANNHEIM GMBH (DE) 2002-01-02 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 (9 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-20240082274-A1 FUNGAL COMPOUND COMPOSITIONS AND METHODS FOR MODULATING INFLAMMATION MAOB, TPSG1, TPSB2 HTR1B 9/4885SLC6A4 1378/4885SLC6A2 2261/4885
US-20030207469-A1 Ecstasy-class analogs and use of same in detection of ecstasy-class compounds CES2, DNPEP, HLA-A HTR1B 1602/4885SLC6A4 208/4885SLC6A2 240/4885
US-12043605-B2 Deuterated empathogens SLC18A2, SLC6A3, GAP43 HTR1B 52/4885SLC6A4 10/4885SLC6A2 5/4885
US-20060178307-A1 Modulation of NMDA receptor currents via orexin receptor and/or CRF receptor HCRTR2, HCRTR1, GRIN2B HTR1B 133/4885SLC6A4 234/4885SLC6A2 116/4885
US-20240122914-A1 TRYPTAMINE COMPOSITIONS FOR ENHANCING NEURITE OUTGROWTH HTR1B, HTR6, BDNF HTR1B 1/4885SLC6A4 62/4885SLC6A2 168/4885
US-20240108640-A1 TRYPTAMINE COMPOSITIONS FOR ENHANCING NEURITE OUTGROWTH HTR1B, HTR6, BDNF HTR1B 1/4885SLC6A4 62/4885SLC6A2 168/4885
US-20240124411-A1 Deuterated Empathogens SLC18A2, SLC6A3, GAP43 HTR1B 52/4885SLC6A4 10/4885SLC6A2 5/4885
US-20240122913-A1 TRYPTAMINE COMPOSITIONS FOR ENHANCING NEURITE OUTGROWTH HTR1B, HTR6, BDNF HTR1B 1/4885SLC6A4 62/4885SLC6A2 168/4885
US-20240189296-A1 TRYPTAMINE COMPOSITIONS FOR ENHANCING NEURITE OUTGROWTH HTR1B, HTR6, BDNF HTR1B 1/4885SLC6A4 62/4885SLC6A2 168/4885

“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.