Sugi Predict

Sugi Predict / Compounds / SCHEMBL973685

SCHEMBL973685

SCHEMBL973685

CCN(C)c1ccc(OC)c(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 2/20 0.48
▸ CA12 O43570 1/20 0.48
▸ CA1 P00915 1/20 0.48
▸ CA7 P43166 1/20 0.48
▸ CA9 Q16790 1/20 0.48
▸ CA14 Q9ULX7 1/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ NQO2 P16083 1/20 0.47
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ HCRTR1 O43613 1/20 0.45
▸ HCRTR2 O43614 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ BLM P54132 1/20 0.44
▸ PMP22 Q01453 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ EPAS1 Q99814 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
Hydrochloric Acid SCHEMBL3657273 0.98 BLM (0.47) CA2CA12CA1CA7CA9
SCHEMBL17713945 0.83 MAOB (0.49) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL14149936 0.82 MAPT (0.45) CA2CA12CA1CA7CA9
SCHEMBL10849133 0.79 KDM4E (0.49) CA2CA12CA1CA7CA9
SCHEMBL1107760 0.79 NQO2 (0.63) CA2CA12CA1CA7CA9
SCHEMBL2097432 0.78 CA2 (0.47) CA2CA12CA1CA7CA9
SCHEMBL12933663 0.78 PTGS2 (0.52) CA9ALDH1A1CYP1A2CYP3A4ACHE
SCHEMBL15434538 0.78 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL4745147 0.77 CA1 (0.50) CA2CA12CA1CA7CA9
SCHEMBL10850197 0.77 POLB (0.51) CA2CA12CA1CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2222629-A1 PROCESS FOR PREPARING N-METHYL-3, 4 DIMETHOXYPHENYLETHYLAMINE Sicor, Inc. (US) 2010-09-01 — — EP claimed
WO-2009086464-A1 PROCESS FOR PREPARING N-METHYL-3, 4 DIMETHOXYPHENYLETHYLAMINE SICOR INC. (US) 2009-07-09 — — WO claimed
US-20090171110-A1 PROCESS FOR PREPARING N-METHYL-3, 4-DIMETHOXYPHENYLETHYLAMINE SICOR INC. 2009-07-02 — — US claimed
EP-1412328-B1 DOLASTATIN 10 DERIVATIVES HOFFMANN LA ROCHE (CH) 2006-10-04 — — EP claimed
CN-1553897-A Dolastatin 10 derivatives - 2004-12-08 — — CN claimed
US-6737409-B2 FOR CANCER THERAPY HOFFMANN-LA ROCHE INC. 2004-05-18 — — US claimed
EP-1412328-A1 DOLASTATIN 10 DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2004-04-28 — — EP claimed
US-20030055002-A1 Dolastatin 10 derivatives HOFFMANN-LA ROCHE INC. 2003-03-20 — — US claimed
WO-2003008378-A1 DOLASTATIN 10 DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2003-01-30 — — WO claimed
EP-0389876-B1 NEW PROCESS FOR THE SYNTHESIS OF THE N-METHYL-3,4-DIMETHOXYPHENYLETHYLAMINE Alfa Chemicals Italiana S.r.l. (IT) 1993-08-04 — — EP claimed
US-5057624-A PROCESS FOR THE SYNTHESIS OF THE N-METHYL-3,4-DIMETHOXYPHENYLETHYLAMINE ALFA WASSERMANN S.P.A. (IT) 1991-10-15 — — US claimed
EP-0389876-A1 New process for the synthesis of the N-methyl-3,4-dimethoxyphenylethylamine Alfa Chemicals Italiana S.r.l. (IT) 1990-10-03 — — EP claimed
CN-118942531-A Application of kusnezoff monkshood root in preparing anti-epileptic medicament and action mechanism analysis method 宁夏医科大学 2024-11-12 — — CN disclosed
US-20130059844-A1 2-PHENYL SUBSTITUTED IMIDAZOTRIAZINONES AS PHOSPHODIESTERASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2013-03-07 — — US disclosed
EP-2295436-A1 2-Phenyl-subsitituted Imidazotriazinones as Phosphodiesterase V inhibitors Bayer Schering Pharma AG (DE) 2011-03-16 — — EP disclosed
US-20110009367-A1 2-PHENYL SUBSTITUTED IMIDAZOTRIAZINONES AS PHOSPHODIESTERASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-13 — — US disclosed
US-4154837-A ANTIARRHYTHMIC, ADRENERGIC BLOCKING AGENTS, ANTIANGINOUS BOEHRINGER INGELHEIM GMBH (DE) 1979-05-15 — — US disclosed
US-4134980-A Phenylalkylamino-alkyl derivatives of quinazolinone and phthalazinone BOEHRINGER INGELHEIM GMBH (DE) 1979-01-16 — — US disclosed
US-4087541-A REDUCING HEART RATE BOEHRINGER INGELHEIM GMBH (DT) 1978-05-02 — — US disclosed
US-4038407-A HEART RATE SLOWING DRUGS BOEHRINGER INGELHEIM GMBH (DT) 1977-07-26 — — US 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-20090171110-A1 PROCESS FOR PREPARING N-METHYL-3, 4-DIMETHOXYPHENYLETHYLAMINE PNMT, COMT, TET3 CA2 2920/4885CA12 4795/4885CA1 4460/4885
US-20110009367-A1 2-PHENYL SUBSTITUTED IMIDAZOTRIAZINONES AS PHOSPHODIESTERASE INHIBITORS PDE3B, PDE3A, PDE2A CA2 1494/4885CA12 4656/4885CA1 4584/4885
US-20030055002-A1 Dolastatin 10 derivatives DAD1, DDOST, NPC1 CA2 3712/4885CA12 3588/4885CA1 3998/4885
US-20130059844-A1 2-PHENYL SUBSTITUTED IMIDAZOTRIAZINONES AS PHOSPHODIESTERASE INHIBITORS PDE3B, PDE3A, PDE2A CA2 1494/4885CA12 4656/4885CA1 4584/4885

“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.