SCHEMBL3374881

SCHEMBL3374881

CC(N)C(Cc1ccc(Cl)cc1)c1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.50
CNR1 P21554 2/20 0.49
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
SLC6A4 P31645 1/20 0.42
NTRK1 P04629 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 3/20 0.39
CYP3A5 P20815 3/20 0.39
CNR2 P34972 1/20 0.39
SLC1A3 P43003 1/20 0.39
SLC1A2 P43004 1/20 0.39
SLC1A1 P43005 1/20 0.39
TBXAS1 P24557 2/20 0.39
TSHR P16473 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
SCHEMBL8625286 0.85 CYP2A6 (0.48) CYP19A1CNR1SLC6A2SLC6A3CYP3A4
SCHEMBL3374829 0.84 SLC6A2 (0.51) CYP19A1CNR1SLC6A2SLC6A3SLC6A4
SCHEMBL13113802 0.82 SLC6A2 (0.53) CYP19A1CNR1SLC6A2SLC6A3SLC6A4
SCHEMBL3374924 0.82 SLC6A2 (0.56) CNR1SLC6A2SLC6A3SLC6A4CNR2
SCHEMBL27614823 0.82 SLC6A2 (0.56) CNR1SLC6A2SLC6A3SLC6A4CNR2
SCHEMBL3374922 0.82 SLC6A2 (0.56) CNR1SLC6A2SLC6A3SLC6A4CNR2
SCHEMBL13113844 0.81 SLC6A2 (0.49) CYP19A1CNR1SLC6A2SLC6A3SLC6A4
Hydrochloric Acid SCHEMBL3374963 0.81 SLC6A2 (0.51) CYP19A1CNR1SLC6A2SLC6A3SLC6A4
Hydrochloric Acid SCHEMBL3371830 0.80 SLC6A2 (0.55) CNR1SLC6A2SLC6A3SLC6A4CNR2
Hydrochloric Acid SCHEMBL3371068 0.80 SLC6A2 (0.55) CNR1SLC6A2SLC6A3SLC6A4CNR2

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 37 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
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
CN-1639112-A Substituted amides having cannabinoid-1 receptor activity MERCK & CO INC (US) 2005-07-13 CN disclosed
WO-2005044785-A1 ARALKYL AMINES AS CANNABINOID RECEPTOR MODULATORS MERCK & CO., INC. (US) 2005-05-19 WO disclosed
EP-1499306-A2 BICYCLIC AMIDES Merck & Co., Inc. (US) 2005-01-26 EP disclosed
US-20040058820-A1 Central nervous system disorders; psychological disorders; antiinflammatory agents; multiple sclerosis MERCK SHARP & DOHME LLC 2004-03-25 US disclosed
WO-2003086288-A2 BICYCLIC 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 CYP19A1 1009/4885CNR1 1/4885SLC6A2 1641/4885
US-20050203112-A1 Bicyclic amides CNR1, CNR2, FAAH CYP19A1 1296/4885CNR1 1/4885SLC6A2 1786/4885
US-20040058820-A1 Central nervous system disorders; psychological disorders; antiinflammatory agents; multiple sclerosis CNR1, CNR2, MAG CYP19A1 2011/4885CNR1 1/4885SLC6A2 1371/4885
US-20050239828-A1 Spirocyclic amides as cannabinoid receptor modulators CNR1, CNR2, MAG CYP19A1 1414/4885CNR1 1/4885SLC6A2 2117/4885
US-20090258884-A1 Substituted amides CNR1, CNR2, FAAH CYP19A1 1207/4885CNR1 1/4885SLC6A2 1525/4885
US-20120135975-A1 Substituted Esters as Cannabinoid-1 Receptor Modulators CNR1, CNR2, FAAH CYP19A1 1290/4885CNR1 1/4885SLC6A2 1390/4885
US-20050234061-A1 Substituted amides CNR1, CNR2, FAAH CYP19A1 1207/4885CNR1 1/4885SLC6A2 1525/4885

“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.