SCHEMBL3584331

SCHEMBL3584331

CC(C)(Oc1ccc(C(F)(F)F)cn1)C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.51
LMNA P02545 1/20 0.49
CNR1 P21554 7/20 0.46
CNR2 P34972 1/20 0.45
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
RAB9A P51151 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
LIPE Q05469 4/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL201045 0.86 LMNA (0.50) KMT2ALMNACNR1CNR2TSHR
SCHEMBL199907 0.85 LMNA (0.49) KMT2ALMNACNR1CNR2TSHR
Hydrochloric Acid SCHEMBL199908 0.85 LMNA (0.49) KMT2ALMNACNR1CNR2TSHR
SCHEMBL524841 0.80 POLB (0.51) LMNACNR1CNR2TSHRSMN1; SMN2
SCHEMBL16326512 0.80 KDM4E (0.45) KMT2ACNR1CNR2RAB9A
SCHEMBL2737128 0.79 TSHR (0.51) KMT2ALMNATSHRSMN1; SMN2RAB9A
SCHEMBL2826311 0.78 MAP4K4 (0.50) KMT2ACNR1CNR2LIPE
SCHEMBL13610689 0.78 CYP4F2 (0.39) CNR1CNR2
SCHEMBL6634752 0.78 KMT2A (0.57) KMT2ALMNARAB9AMRGPRX4LIPE
SCHEMBL3476037 0.76 MAP4K4 (0.45) KMT2ALMNACNR1CNR2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100041893-A1 FORMATION OF TETRA-SUBSTITUTED ENAMIDES AND STEREOSELECTIVE REDUCTION THEREOF MERCK SHARP & DOHME CORP. 2010-02-18 US disclosed
US-20100041893-A1 FORMATION OF TETRA-SUBSTITUTED ENAMIDES AND STEREOSELECTIVE REDUCTION THEREOF MERCK SHARP & DOHME CORP. 2010-02-18 US disclosed
US-20100041893-A1 FORMATION OF TETRA-SUBSTITUTED ENAMIDES AND STEREOSELECTIVE REDUCTION THEREOF MERCK SHARP & DOHME CORP. 2010-02-18 US disclosed
US-20090306037-A1 Combination of a Dipeptidyl Peptidase-IV Inhibitor and a Cannabinoid CB1 Receptor Antagonist for the Treatment of Diabetes and Obesity MERCK & CO., INC. (US) 2009-12-10 US disclosed
US-20090306037-A1 Combination of a Dipeptidyl Peptidase-IV Inhibitor and a Cannabinoid CB1 Receptor Antagonist for the Treatment of Diabetes and Obesity MERCK & CO., INC. (US) 2009-12-10 US disclosed
US-20090306037-A1 Combination of a Dipeptidyl Peptidase-IV Inhibitor and a Cannabinoid CB1 Receptor Antagonist for the Treatment of Diabetes and Obesity MERCK & CO., INC. (US) 2009-12-10 US disclosed
US-7629470-B2 Formation of tetra-substituted enamides and stereoselective reduction thereof MERCK & CO., INC. (US) 2009-12-08 US disclosed
US-7629470-B2 Formation of tetra-substituted enamides and stereoselective reduction thereof MERCK & CO., INC. (US) 2009-12-08 US disclosed
US-7629470-B2 Formation of tetra-substituted enamides and stereoselective reduction thereof MERCK & CO., INC. (US) 2009-12-08 US disclosed
US-7595417-B2 Cyanation of aromatic halides MERCK & CO., INC. (US) 2009-09-29 US disclosed
EP-1496838-A4 SUBSTITUTED AMIDES MERCK & CO INC (US) 2008-07-02 EP disclosed
EP-1765771-A4 FORMATION OF TETRA-SUBSTITUTED ENAMIDES AND STEREOSELECTIVE REDUCTION THEREOF MERCK & CO INC (US) 2008-04-02 EP disclosed
EP-1879582-A2 COMBINATION OF DIPEPTIDYL PEPTIDASE-IV INHIBITOR AND A CANNABINOID CB1 RECEPTOR ANTAGONIST FOR THE TREATMENT OF DIABETES AND OBESITY Merck & Co., Inc. (US) 2008-01-23 EP disclosed
EP-1765771-A2 FORMATION OF TETRA-SUBSTITUTED ENAMIDES AND STEREOSELECTIVE REDUCTION THEREOF Merck & Co., Inc. (US) 2007-03-28 EP disclosed
WO-2006119260-A2 COMBINATION OF DIPEPTIDYL PEPTIDASE-IV INHIBITOR AND A CANNABINOID CB1 RECEPTOR ANTAGONIST FOR THE TREATMENT OF DIABETES AND OBESITY MERCK & CO., INC. (US) 2006-11-09 WO disclosed
WO-2006119260-A2 COMBINATION OF DIPEPTIDYL PEPTIDASE-IV INHIBITOR AND A CANNABINOID CB1 RECEPTOR ANTAGONIST FOR THE TREATMENT OF DIABETES AND OBESITY MERCK & CO., INC. (US) 2006-11-09 WO disclosed
US-20060106223-A1 Cyanation of aromatic halides MERCK SHARP & DOHME CORP. 2006-05-18 US disclosed
WO-2006017045-A2 FORMATION OF TETRA-SUBSTITUTED ENAMIDES AND STEREOSELECTIVE REDUCTION THEREOF MERCK & CO., INC. (US) 2006-02-16 WO disclosed
EP-1496838-A2 SUBSTITUTED AMIDES Merck & Co., Inc. (US) 2005-01-19 EP 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 (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-20060106223-A1 Cyanation of aromatic halides NEK6, HCN4, NPM1 KMT2A 629/4885LMNA 1858/4885CNR1 458/4885
US-20090306037-A1 Combination of a Dipeptidyl Peptidase-IV Inhibitor and a Cannabinoid CB1 Receptor Antagonist for the Treatment of Diabetes and Obesity DPP4, DPP3, DPP7 KMT2A 2566/4885LMNA 4483/4885CNR1 6/4885
US-20100041893-A1 FORMATION OF TETRA-SUBSTITUTED ENAMIDES AND STEREOSELECTIVE REDUCTION THEREOF ENY2, INF2, ECI1 KMT2A 1046/4885LMNA 2348/4885CNR1 2041/4885

“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.