SCHEMBL113567

SCHEMBL113567

CNC(C)Cc1ccc2c(c1)OOC2

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.57
SLC6A4 P31645 3/20 0.57
CYP2D6 P10635 1/20 0.57
SLC6A2 P23975 1/20 0.57
SLC6A3 Q01959 1/20 0.57
HTR1B P28222 4/20 0.46
SLC18A2 Q05940 1/20 0.42
SIGMAR1 Q99720 1/20 0.42

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
SCHEMBL15902430 1.00 TAAR1 (0.57) TAAR1SLC6A4CYP2D6SLC6A2SLC6A3
SCHEMBL5467529 0.85 TAAR1 (0.55) TAAR1SLC6A4CYP2D6SLC6A2SLC6A3
SCHEMBL715095 0.85 SIGMAR1 (0.45) TAAR1SLC6A4CYP2D6SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL5301739 0.84 SIGMAR1 (0.44) TAAR1SLC6A4CYP2D6SLC6A2SLC6A3
SCHEMBL2418814 0.83 SIGMAR1 (0.48) TAAR1SLC6A4CYP2D6SLC6A2SLC6A3
SCHEMBL1740905 0.82 HTR1B (0.48) TAAR1SLC6A4CYP2D6SLC6A2SLC6A3
SCHEMBL1316541 0.81 TAAR1 (0.55) TAAR1SLC6A4SLC6A2SLC6A3
SCHEMBL5291234 0.81 SIGMAR1 (0.42) TAAR1SLC6A4CYP2D6SLC6A2SLC6A3
SCHEMBL23069137 0.80 HTR1B (0.37) TAAR1SLC6A4CYP2D6SLC6A2SLC6A3
SCHEMBL4809611 0.79 SLC6A4 (0.41) TAAR1SLC6A4CYP2D6SLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12257283-B2 Methods and compositions for use of a chemokine receptor antagonist peptide to treat addiction, substance abuse disorders or symptoms thereof CREATIVE BIO-PEPTIDES, INC. (US) 2025-03-25 US claimed
US-20240052418-A1 METHOD FOR PREDICTING A SUBJECT'S RESPONSE TO SLC MODULATOR THERAPY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2024-02-15 US claimed
US-11850254-B2 Tryptamine compositions for enhancing neurite outgrowth TURTLE BEAR HOLDINGS, LLC (US) 2023-12-26 US claimed
US-20230405028-A1 COMPOSITIONS FOR REDUCING INFLAMMATION TO IMPROVE OR MAINTAIN MENTAL OR PHYSICAL HEALTH GOODCAP PHARMACEUTICALS LTD (CA) 2023-12-21 US claimed
US-11814681-B2 Method for predicting a subjects response to SLC modulator therapy THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-11-14 US claimed
US-20230322743-A1 NOVEL SAFRYLAMINE DERIVATIVES HAVING PRODRUG PROPERTIES MIHKAL GMBH (CH) 2023-10-12 US claimed
EP-4225320-A1 COMPOSITIONS FOR REDUCING INFLAMMATION TO IMPROVE OR MAINTAIN MENTAL OR PHYSICAL HEALTH Goodcap Pharmaceuticals Ltd. (CA) 2023-08-16 EP claimed
EP-4211130-A1 NOVEL SAFRYLAMINE DERIVATIVES HAVING PRODRUG PROPERTIES COMPASS Pathfinder Limited (GB) 2023-07-19 EP claimed
WO-2023108277-A1 CANNABINOID AND PSYCHEDELIC FORMULATIONS COMPRISING HYDROTROPIC AGENTS AGILE PHARMACEUTICALS SOLUTIONS INC. (CA) 2023-06-22 WO claimed
EP-3278100-B1 METHODS AND USES COMPRISING SOLID PHASE EXTRACTION, DERIVATIZATION WITH CROWN ETHERS, AND MASS SPECTROMETRY TECAN SP INC (US) 2023-06-14 EP claimed
US-20110060037-A1 USE OF NPY Y5 RECEPTOR ANTAGONISTS FOR THE PREVENTION OF PSYCHO-STIMULANT AND OPIOID ABUSE UNIVERSITY OF COPENHAGEN (DK) 2011-03-10 US claimed
US-7901949-B2 Assay ALERE SWITZERLAND GMBH (CH) 2011-03-08 US claimed
EP-2280703-A1 USE OF NPY Y5 RECEPTOR ANTAGONISTS FOR THE PREVENTION OF PSYCHOSTIMULANT AND OPIOID ABUSE Københavns Universitet (University Of Copenhagen) (DK) 2011-02-09 EP claimed
US-20100104504-A1 Materials and methods for diagnosis, prevention and/or treatment of stress disorders and conditions associated with abeta peptide aggregation UNIVERSITY OF SOUTH FLORIDA (US) 2010-04-29 US claimed
US-20100081188-A1 APPARATUS FOR DETECTING DRUGS IN A BEVERAGE CAMPBELL JAMES GORDON 2010-04-01 US claimed
WO-2009112033-A1 USE OF NPY Y5 RECEPTOR ANTAGONISTS FOR THE PREVENTION OF PSYCHOSTIMULANT AND OPIOID ABUSE KØBENHAVNS UNIVERSITET (UNIVERSITY OF COPENHAGEN) (DK) 2009-09-17 WO claimed
US-20080102482-A1 Apparatus for Detecting Drugs in a Beverage BLOOMSBURY INNOVATIONS LTD (GB) 2008-05-01 US claimed
WO-2008026046-A1 MORPHOLINE D3 DOPAMINE ANTAGONISTS PFIZER PRODUCTS INC. (US) 2008-03-06 WO claimed
EP-1714145-A1 APPARATUS FOR DETECTING DRUGS IN A BEVERAGE Bloomsbury Innovations Ltd. (GB) 2006-10-25 EP claimed
WO-2005059541-A1 APPARATUS FOR DETECTING DRUGS IN A BEVERAGE BLOOMSBURY INNOVATIONS LTD. (GB) 2005-06-30 WO claimed

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-20100104504-A1 Materials and methods for diagnosis, prevention and/or treatment of stress disorders and conditions associated with abeta peptide aggregation APP, BACE1, BDNF TAAR1 96/4885SLC6A4 72/4885CYP2D6 4365/4885
US-20230322743-A1 NOVEL SAFRYLAMINE DERIVATIVES HAVING PRODRUG PROPERTIES HTR2A, HTR2C, HTR1D TAAR1 70/4885SLC6A4 55/4885CYP2D6 377/4885
US-11850254-B2 Tryptamine compositions for enhancing neurite outgrowth HTR1B, HTR6, BDNF TAAR1 128/4885SLC6A4 62/4885CYP2D6 1702/4885

“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.