Sugi Predict

Sugi Predict / Compounds / SCHEMBL3374922

SCHEMBL3374922

SCHEMBL3374922

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

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 3/20 0.56
▸ SLC6A3 Q01959 2/20 0.56
▸ SLC6A4 P31645 2/20 0.50
▸ CNR1 P21554 9/20 0.48
▸ CNR2 P34972 6/20 0.48
▸ CYP2D6 P10635 2/20 0.47
▸ TAAR1 Q96RJ0 2/20 0.46
▸ MAOA P21397 1/20 0.46
▸ SIGMAR1 Q99720 1/20 0.46
▸ CYP2A6 P11509 1/20 0.46
▸ ADORA2A P29274 1/20 0.46
▸ ADORA1 P30542 1/20 0.46
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ CHRNB2 P17787 1/20 0.44
▸ CHRNA4 P43681 1/20 0.44

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
SCHEMBL3374924 1.00 SLC6A2 (0.56) SLC6A2SLC6A3SLC6A4CNR1CNR2
SCHEMBL27614823 1.00 SLC6A2 (0.56) SLC6A2SLC6A3SLC6A4CNR1CNR2
Hydrochloric Acid SCHEMBL3371068 0.98 SLC6A2 (0.55) SLC6A2SLC6A3SLC6A4CNR1CNR2
Hydrochloric Acid SCHEMBL3371830 0.98 SLC6A2 (0.55) SLC6A2SLC6A3SLC6A4CNR1CNR2
SCHEMBL8627137 0.93 SLC6A2 (0.52) SLC6A2SLC6A3SLC6A4CNR1CNR2
Hydrochloric Acid SCHEMBL3374865 0.92 SLC6A2 (0.50) SLC6A2SLC6A3SLC6A4CNR1CNR2
SCHEMBL4691720 0.91 SLC6A3 (0.62) SLC6A2SLC6A3SLC6A4CNR1CNR2
SCHEMBL8623070 0.91 FDFT1 (0.53) SLC6A2SLC6A3SLC6A4CNR1CNR2
SCHEMBL8623834 0.91 FDFT1 (0.53) SLC6A2SLC6A3SLC6A4CNR1CNR2
SCHEMBL8620804 0.91 FDFT1 (0.53) SLC6A2SLC6A3SLC6A4CNR1CNR2

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 45 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-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-1496838-A2 SUBSTITUTED AMIDES Merck & Co., Inc. (US) 2005-01-19 — — 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-2003077847-A2 SUBSTITUTED AMIDES MERCK & CO., INC. (US) 2003-09-25 — — WO disclosed
US-5777150-A Substituted amic acid derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1998-07-07 — — US disclosed
EP-0611749-B1 Substituted amic acid derivatives useful for treatment of arteriosclerosis BANYU PHARMA CO LTD (JP) 1997-10-22 — — EP disclosed
US-5616803-A EXHIBIT SQUALENE SYNTHASE-INHIBITORY ACTIVITIES; USEFUL IN TREATMENT AND PROPHYLAXIS OF HYPERCHOLESTEREMIA, HYPERLIPEMIA AND ARTERIOSCLEROSIS BANYU PHARMACEUTICAL CO., LTD. (JP) 1997-04-01 — — US disclosed
US-5606101-A INTERMEDIATES FOR SQUALENE SYNTHASE INHIBITORS BANYU PHARMACEUTICAL CO., LTD. (JP) 1997-02-25 — — US disclosed
US-5488149-A SQUALENE SYNTHASE INHIBITORS AS ANTICHOLESTEROL OR ANTILIPEMIC AGENTS BANYU PHARMACEUTICAL CO., LTD. (JP) 1996-01-30 — — US disclosed
EP-0611749-A1 Substituted amic acid derivatives useful for treatment of arteriosclerosis BANYU PHARMACEUTICAL CO., LTD. (JP) 1994-08-24 — — 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 (2 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-20040058820-A1 Central nervous system disorders; psychological disorders; antiinflammatory agents; multiple sclerosis CNR1, CNR2, MAG SLC6A2 1371/4885SLC6A3 2064/4885SLC6A4 2246/4885
US-20090258884-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.