Sugi Predict

Sugi Predict / Compounds / SCHEMBL956766

SCHEMBL956766

SCHEMBL956766

CC(C#N)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 4/20 0.60
▸ ALOX5 P09917 1/20 0.55
▸ LMNA P02545 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ PTGS1 P23219 1/20 0.51
▸ SLC6A2 P23975 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ PTGS2 P35354 1/20 0.51
▸ SLC6A3 Q01959 1/20 0.51
▸ HIF1A Q16665 1/20 0.51
▸ HDAC6 Q9UBN7 1/20 0.51
▸ FFAR1 O14842 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ MAOA P21397 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ BCHE P06276 1/20 0.50

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
SCHEMBL8044155 0.87 LMNA (0.54) MAOBALOX5LMNACYP1A2PTGS1
SCHEMBL17465915 0.83 MAOB (0.64) MAOBALOX5LMNACYP1A2PTGS1
SCHEMBL683554 0.81 RXRA (0.66) MAOBALOX5LMNACYP1A2PTGS1
SCHEMBL11452486 0.81 MAOB (0.60) MAOBALOX5LMNACYP1A2PTGS1
SCHEMBL19586128 0.80 MAOB (0.55) MAOBALOX5LMNACYP1A2PTGS1
SCHEMBL2023883 0.80 LMNA (0.58) MAOBALOX5LMNACYP1A2PTGS1
Hydrochloric Acid SCHEMBL15775837 0.79 MAOB (0.58) MAOBALOX5LMNACYP1A2PTGS1
SCHEMBL25922317 0.79 MAOB (0.58) MAOBLMNACYP1A2PTGS1SLC6A2
SCHEMBL6376299 0.78 MAOB (0.59) MAOBALOX5LMNACYP1A2PTGS1
SCHEMBL1497960 0.78 LMNA (0.61) MAOBALOX5LMNACYP1A2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7875645-B2 2-(2-cyclopropyl-benzyl)-4,5-dihydro-1H-imidazole; depression, anxiety disorders, bipolar disorder, attention deficit hyperactivity disorder, stress-related disorders, psychotic disorders such as schizophrenia, neurological diseases such as Parkinson's disease, neurodegenerative disorders HOFFMAN-LA ROCHE INC. (US) 2011-01-25 — — US disclosed
EP-1981497-A2 USE OF SUBSTITUTED 2-IMIDAZOLE OF IMIDAZOLINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-10-22 — — EP disclosed
WO-2007118964-A1 SUBSTITUTED N-(PHENETHYL)BENZAMIDE DERIVATIVES, PREPARATION AND USES THEREOF GENFIT (FR) 2007-10-25 — — WO disclosed
WO-2007118963-A2 SUBSTITUTED N-(PHENETHYL)BENZAMIDE DERIVATIVES, PREPARATION AND USES THEREOF GENFIT (FR) 2007-10-25 — — WO disclosed
US-20070197621-A1 Method for the treatment of CNS disorders with substituted 2-imidazoles or imidazole derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-08-23 — — US disclosed
WO-2007085557-A2 USE OF SUBSTITUTED 2-IMIDAZOLE OF IMIDAZOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-08-02 — — WO disclosed
US-7135487-B2 such as N-2-(4-Bromophenyl)propyl methanesulfonamide; sulfonamidation of the amine; glutamate receptor potentiators ELI LILLY AND COMPANY (US) 2006-11-14 — — US disclosed
US-20060030599-A1 SULPHONAMIDE DERIVATIVES ARNOLD MACKLIN B 2006-02-09 — — US disclosed
EP-1528055-A2 Sulphonamide Derivatives Eli Lilly & Company (US) 2005-05-04 — — EP disclosed
EP-0860428-B1 Sulphonamide derivatives LILLY CO ELI (US) 2004-12-08 — — EP disclosed
US-20020002158-A1 Sulphonamide derivatives ARNOLD MACKLIN B (US) 2002-01-03 — — US disclosed
US-6303816-B1 Sulphonamide derivatives ELI LILLY AND COMPANY 2001-10-16 — — US disclosed
EP-1100497-A4 HETEROCYCLYL SULPHONAMIDE DERIVATIVES LILLY CO ELI (US) 2001-09-12 — — EP disclosed
EP-1100497-A1 HETEROCYCLYL SULPHONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2001-05-23 — — EP disclosed
CN-1251523-A Sulfonamide derivatives LILLY CO ELI (US) 2000-04-26 — — CN disclosed
EP-0994110-A1 Sulphonamide derivatives ELI LILLY AND COMPANY (US) 2000-04-19 — — EP disclosed
WO-2000006158-A1 HETEROCYCLYL SULPHONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2000-02-10 — — WO disclosed
WO-2000006148-A1 SULPHONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2000-02-10 — — WO disclosed
EP-0976744-A1 Amide, carbamate, and urea derivatives having glutamate receptor function potentiating activity ELI LILLY AND COMPANY (US) 2000-02-02 — — EP disclosed
EP-0860428-A2 Sulphonamide derivatives ELI LILLY AND COMPANY (US) 1998-08-26 — — 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 (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-20060030599-A1 SULPHONAMIDE DERIVATIVES GRIN2C, GLRA2, GLRA1 MAOB 917/4885ALOX5 2386/4885LMNA 3909/4885
US-20020002158-A1 Sulphonamide derivatives GRIN2C, GRM1, GRM3 MAOB 1740/4885ALOX5 1368/4885LMNA 2852/4885
US-20070197621-A1 Method for the treatment of CNS disorders with substituted 2-imidazoles or imidazole derivatives GPR119, PER2, MTNR1B MAOB 17/4885ALOX5 3057/4885LMNA 2048/4885

“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.