SCHEMBL3371502

SCHEMBL3371502

CC(N)C(Cc1ccc(Cl)cc1)c1ccsc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.50
SLC6A3 Q01959 3/20 0.50
SLC6A4 P31645 3/20 0.44
ADRB2 P07550 1/20 0.38
NPC1 O15118 1/20 0.36
HTR1A P08908 1/20 0.35
HTR2A P28223 1/20 0.35
HRH1 P35367 1/20 0.35
HTR2B P41595 1/20 0.35
CHRNA4 P43681 1/20 0.35
ALOX5 P09917 1/20 0.35
CYP3A4 P08684 3/20 0.35
CYP2D6 P10635 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
NFKB1 P19838 1/20 0.35
CYP2C19 P33261 1/20 0.35
LMNA P02545 1/20 0.34
PMP22 Q01453 1/20 0.34
NLRP3 Q96P20 1/20 0.34

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
SCHEMBL8622962 0.85 SLC6A2 (0.44) SLC6A2SLC6A3SLC6A4ADRB2CNR1
SCHEMBL4691720 0.82 SLC6A3 (0.62) SLC6A2SLC6A3SLC6A4ADRB2CYP2D6
Hydrochloric Acid SCHEMBL3371509 0.80 SLC6A2 (0.60) SLC6A2SLC6A3SLC6A4ADRB2CYP2D6
SCHEMBL3374922 0.78 SLC6A2 (0.56) SLC6A2SLC6A3SLC6A4CHRNA4CYP2D6
SCHEMBL8621289 0.78 SLC6A2 (0.56) SLC6A2SLC6A3SLC6A4ADRB2CYP2D6
SCHEMBL27614823 0.78 SLC6A2 (0.56) SLC6A2SLC6A3SLC6A4CHRNA4CYP2D6
SCHEMBL3374924 0.78 SLC6A2 (0.56) SLC6A2SLC6A3SLC6A4CHRNA4CYP2D6
SCHEMBL8619441 0.78 SLC6A2 (0.56) SLC6A2SLC6A3SLC6A4ADRB2CYP2D6
Hydrochloric Acid SCHEMBL3371830 0.76 SLC6A2 (0.55) SLC6A2SLC6A3SLC6A4CHRNA4CYP2D6
SCHEMBL8622953 0.76 SLC6A3 (0.55) SLC6A2SLC6A3SLC6A4ADRB2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120135975-A1 Substituted Esters as Cannabinoid-1 Receptor Modulators MERCK & CO., INC. (US) 2012-05-31 US disclosed
EP-1496838-B1 SUBSTITUTED AMIDES MERCK SHARP & DOHME (US) 2010-11-03 EP disclosed
US-7816534-B2 Substituted amides MERCK SHARP & DOHME CORP. (US) 2010-10-19 US disclosed
US-7816534-B2 Substituted amides MERCK SHARP & DOHME CORP. (US) 2010-10-19 US disclosed
US-7816534-B2 Substituted amides MERCK SHARP & DOHME CORP. (US) 2010-10-19 US disclosed
US-7667053-B2 Cannabinoid-1 (CB1) receptor antagonists and/or inverse agonists; e.g. N-(2,3-bis(4-chlorophenyl)-1-methylpropyl)-1,4-benzodioxane-2-carboxamide; psychological disorders, eating disorders MERCK & CO., INC. (US) 2010-02-23 US disclosed
US-7667053-B2 Cannabinoid-1 (CB1) receptor antagonists and/or inverse agonists; e.g. N-(2,3-bis(4-chlorophenyl)-1-methylpropyl)-1,4-benzodioxane-2-carboxamide; psychological disorders, eating disorders MERCK & CO., INC. (US) 2010-02-23 US disclosed
US-7667053-B2 Cannabinoid-1 (CB1) receptor antagonists and/or inverse agonists; e.g. N-(2,3-bis(4-chlorophenyl)-1-methylpropyl)-1,4-benzodioxane-2-carboxamide; psychological disorders, eating disorders MERCK & CO., INC. (US) 2010-02-23 US disclosed
US-20090258884-A1 Substituted amides MERCK SHARP & DOHME CORP. 2009-10-15 US disclosed
US-20090258884-A1 Substituted amides MERCK SHARP & DOHME CORP. 2009-10-15 US disclosed
EP-1494997-A4 SUBSTITUTED ARYL AMIDES MERCK & CO INC (US) 2007-04-11 EP disclosed
US-6972295-B2 Substituted amides MERCK & CO., INC. (US) 2005-12-06 US disclosed
US-20050239828-A1 Spirocyclic amides as cannabinoid receptor modulators MERCK & CO., INC. (US) 2005-10-27 US disclosed
US-20050234061-A1 Substituted amides MERCK SHARP & DOHME CORP. 2005-10-20 US disclosed
US-20050203112-A1 Bicyclic amides MERCK SHARP & DOHME CORP. 2005-09-15 US disclosed
US-20050154202-A1 Substituted aryl amides MERCK & CO., INC. 2005-07-14 US disclosed
EP-1494997-A1 SUBSTITUTED ARYL AMIDES Merck & Co., Inc. (US) 2005-01-12 EP disclosed
WO-2004048317-A1 SUBSTITUTED AMIDES ACTIVE AT THE CANNABINOID-1 RECEPTOR MERCK & CO., INC. (US) 2004-06-10 WO disclosed
US-20040058820-A1 Central nervous system disorders; psychological disorders; antiinflammatory agents; multiple sclerosis MERCK SHARP & DOHME LLC 2004-03-25 US disclosed
WO-2003087037-A1 SUBSTITUTED ARYL AMIDES MERCK & CO., INC. (US) 2003-10-23 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 (7 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-20050154202-A1 Substituted aryl amides CNR1, CNR2, FAAH SLC6A2 1641/4885SLC6A3 2109/4885SLC6A4 2261/4885
US-20050203112-A1 Bicyclic amides CNR1, CNR2, FAAH SLC6A2 1786/4885SLC6A3 2824/4885SLC6A4 2699/4885
US-20040058820-A1 Central nervous system disorders; psychological disorders; antiinflammatory agents; multiple sclerosis CNR1, CNR2, MAG SLC6A2 1371/4885SLC6A3 2064/4885SLC6A4 2246/4885
US-20050239828-A1 Spirocyclic amides as cannabinoid receptor modulators CNR1, CNR2, MAG SLC6A2 2117/4885SLC6A3 2989/4885SLC6A4 3182/4885
US-20090258884-A1 Substituted amides CNR1, CNR2, FAAH SLC6A2 1525/4885SLC6A3 2303/4885SLC6A4 2167/4885
US-20120135975-A1 Substituted Esters as Cannabinoid-1 Receptor Modulators CNR1, CNR2, FAAH SLC6A2 1390/4885SLC6A3 2186/4885SLC6A4 1644/4885
US-20050234061-A1 Substituted amides CNR1, CNR2, FAAH SLC6A2 1525/4885SLC6A3 2303/4885SLC6A4 2167/4885

“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.