SCHEMBL3371918

SCHEMBL3371918

CC(N)C(Cc1ccc(C#N)cc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 9/20 0.45
CNR2 P34972 5/20 0.45
CYP2D6 P10635 1/20 0.43
TAAR1 Q96RJ0 3/20 0.42
CYP2A6 P11509 2/20 0.42
SLC6A2 P23975 2/20 0.42
MAOA P21397 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 1/20 0.40

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
Hydrochloric Acid SCHEMBL3373296 0.98 CNR1 (0.44) CNR1CNR2CYP2D6TAAR1CYP2A6
SCHEMBL3372795 0.83 CYP2D6 (0.61) CYP2D6TAAR1CYP2A6SLC6A2MAOA
Hydrochloric Acid SCHEMBL3519614 0.82 SLC6A2 (0.50) CNR1CNR2TAAR1SLC6A2MAOA
SCHEMBL2759498 0.81 LTA4H (0.39) CNR1CNR2CYP2D6TAAR1CYP2A6
Hydrochloric Acid SCHEMBL3372086 0.81 CYP2D6 (0.59) CYP2D6TAAR1CYP2A6SLC6A2MAOA
SCHEMBL3371215 0.80 CYP2D6 (0.48) CYP2D6TAAR1CYP2A6SLC6A2MAOA
SCHEMBL29065584 0.80 ESR1 (0.47) CNR1CNR2TAAR1CYP2A6MAOA
SCHEMBL27595966 0.80 TAAR1 (0.52) CYP2D6TAAR1CYP2A6SLC6A2MAOA
SCHEMBL3372560 0.79 CYP2D6 (0.47) CNR1CYP2D6TAAR1CYP2A6SLC6A2
SCHEMBL27614823 0.79 SLC6A2 (0.56) CNR1CNR2CYP2D6TAAR1CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1496838-B1 SUBSTITUTED AMIDES MERCK SHARP & DOHME (US) 2010-11-03 EP 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-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-20090258884-A1 Substituted amides MERCK SHARP & DOHME CORP. 2009-10-15 US disclosed
US-7423067-B2 N-(3,4-diphenyl-2-butyl)cyclopentancarboxamide derivatives such as N-(2,3-bis(4-chlorophenyl)-1-methylpropyl)-3-benzoyl-cyclopentane-carboxamide; used for treating conditions including psychological disorders, eating disorders and substance abuse MERCK & CO., INC. (US) 2008-09-09 US disclosed
US-20080171692-A1 Substituted amides MERCK SHARP & DOHME CORP. 2008-07-17 US disclosed
US-20080171692-A1 Substituted amides MERCK SHARP & DOHME CORP. 2008-07-17 US disclosed
US-20080171692-A1 Substituted amides MERCK SHARP & DOHME CORP. 2008-07-17 US disclosed
EP-1496838-A4 SUBSTITUTED AMIDES MERCK & CO INC (US) 2008-07-02 EP disclosed
US-6972295-B2 Substituted amides MERCK & CO., INC. (US) 2005-12-06 US disclosed
US-20050234061-A1 Substituted amides MERCK SHARP & DOHME CORP. 2005-10-20 US disclosed
EP-1496838-A2 SUBSTITUTED AMIDES Merck & Co., Inc. (US) 2005-01-19 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-2003077847-A2 SUBSTITUTED AMIDES MERCK & CO., INC. (US) 2003-09-25 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 (4 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-20080171692-A1 Substituted amides CNR1, CNR2, FAAH CNR1 1/4885CNR2 2/4885CYP2D6 1591/4885
US-20040058820-A1 Central nervous system disorders; psychological disorders; antiinflammatory agents; multiple sclerosis CNR1, CNR2, MAG CNR1 1/4885CNR2 2/4885CYP2D6 1749/4885
US-20090258884-A1 Substituted amides CNR1, CNR2, FAAH CNR1 1/4885CNR2 2/4885CYP2D6 1591/4885
US-20050234061-A1 Substituted amides CNR1, CNR2, FAAH CNR1 1/4885CNR2 2/4885CYP2D6 1591/4885

“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.