Sugi Predict

Sugi Predict / Compounds / SCHEMBL3513899

SCHEMBL3513899

SCHEMBL3513899

O=C(Cl)C=Cc1ccoc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCAR2 Q8TDS4 1/20 0.69
▸ MAPT P10636 4/20 0.54
▸ ALDH1A1 P00352 3/20 0.54
▸ ALOX5 P09917 2/20 0.46
▸ MAOA P21397 1/20 0.43
▸ MAOB P27338 1/20 0.43
▸ KMT2A Q03164 6/20 0.43
▸ POLB P06746 6/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ BLM P54132 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ CYP1A2 P05177 3/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ CYP1A1 P04798 1/20 0.41
▸ CYP1B1 Q16678 1/20 0.41

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
SCHEMBL6832853 1.00 HCAR2 (0.69) HCAR2MAPTALDH1A1ALOX5MAOA
SCHEMBL7893859 0.82 HCAR2 (1.00) HCAR2MAPTALDH1A1ALOX5MAOA
SCHEMBL660178 0.82 HCAR2 (1.00) HCAR2MAPTALDH1A1ALOX5MAOA
SCHEMBL564789 0.82 HCAR2 (1.00) HCAR2MAPTALDH1A1ALOX5MAOA
SCHEMBL1380933 0.80 HCAR2 (0.69) HCAR2MAPTALDH1A1ALOX5MAOA
Hydrochloric Acid SCHEMBL9261463 0.80 HCAR2 (0.96) HCAR2MAPTALDH1A1ALOX5MAOA
SCHEMBL28981304 0.80 HCAR2 (0.69) HCAR2MAPTALDH1A1ALOX5MAOA
SCHEMBL2815054 0.80 HCAR2 (0.69) HCAR2MAPTALDH1A1ALOX5MAOA
SCHEMBL13692335 0.80 HCAR2 (0.69) HCAR2MAPTALDH1A1ALOX5MAOA
SCHEMBL17200022 0.78 HCAR2 (0.56) HCAR2MAPTALDH1A1MAOBPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117285539-A Preparation method of nalfurorphine 山东新时代药业有限公司 2023-12-26 — — CN disclosed
CN-115521317-A Method for preparing nafrafine intermediate 山东新时代药业有限公司 2022-12-27 — — CN disclosed
CN-114621238-A Method for preparing nafrafine 鲁南制药集团股份有限公司 2022-06-14 — — CN disclosed
US-8946419-B2 (+)-6-hydroxy-morphinan or (+)-6-amino-morphinan derivatives MALLINCKRODT LLC (US) 2015-02-03 — — US disclosed
US-20140031543-A1 (+)-6-Hydroxy-Morphinan or (+)-6-Amino-Morphinan Derivatives MALLINCKRODT LLC (US) 2014-01-30 — — US disclosed
US-8563724-B2 (+)-6-hydroxy-morphinan or (+)-6-amino-morphinan derivatives MALLINCKRODT LLC (US) 2013-10-22 — — US disclosed
EP-2398807-A1 (+)-6-HYDROXY-MORPHINAN OR (+)-6-AMINO-MORPHINAN DERIVATIVES Mallinckrodt LLC (US) 2011-12-28 — — EP disclosed
US-20100216995-A1 (+)-6-Hydroxy-Morphinan or (+)-6-Amino-Morphinan Derivatives MALLINCKRODT INC. (US) 2010-08-26 — — US disclosed
WO-2010096791-A1 (+)-6-HYDROXY-MORPHINAN OR (+)-6-AMINO-MORPHINAN DERIVATIVES MALLINCKRODT INC. (US) 2010-08-26 — — WO disclosed
US-20040181062-A1 Benzimidazole cyclooxygenase-2 inhibitor PFIZER INC 2004-09-16 — — US disclosed
US-5824670-A ANTIINFLAMMATORY AGENTS; TREATING DERMATOSES HOECHST AKTIENGESELLSCHAFT (DE) 1998-10-20 — — US disclosed
EP-0577847-B1 MORPHINAN DERIVATIVE AND MEDICINAL USE TORAY INDUSTRIES (JP) 1998-10-14 — — EP disclosed
EP-0657163-B1 ANTITUSSIVE TORAY INDUSTRIES (JP) 1998-10-14 — — EP disclosed
EP-0846694-A1 Morphinan derivative and its pharmaceutical applications TORAY INDUSTRIES, INC. (JP) 1998-06-10 — — EP disclosed
US-5739145-A MORPHINAN DERIVATIVES TORAY INDUSTRIES, INC. (JP) 1998-04-14 — — US disclosed
EP-0708111-A1 17-Desoxy corticosteroid-21-esters, a process for their preparation and pharmaceutical compositions containing them HOECHST AKTIENGESELLSCHAFT (DE) 1996-04-24 — — EP disclosed
EP-0663401-A1 MORPHINAN DERIVATIVE AND MEDICINAL USE TORAY INDUSTRIES, INC. (JP) 1995-07-19 — — EP disclosed
EP-0661283-A1 BRAIN CELL PROTECTIVE TORAY INDUSTRIES, INC. (JP) 1995-07-05 — — EP disclosed
EP-0657163-A1 ANTITUSSIVE TORAY INDUSTRIES, INC. (JP) 1995-06-14 — — EP disclosed
EP-0577847-A1 MORPHINAN DERIVATIVE AND MEDICINAL USE TORAY INDUSTRIES, INC. (JP) 1994-01-12 — — 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-20100216995-A1 (+)-6-Hydroxy-Morphinan or (+)-6-Amino-Morphinan Derivatives GRM6, HTR6, GRIN3B HCAR2 25/4885MAPT 364/4885ALDH1A1 966/4885
US-20140031543-A1 (+)-6-Hydroxy-Morphinan or (+)-6-Amino-Morphinan Derivatives GRM6, HTR6, GRIN3B HCAR2 25/4885MAPT 364/4885ALDH1A1 966/4885
US-20040181062-A1 Benzimidazole cyclooxygenase-2 inhibitor PTGS1, CBR1, CBR3 HCAR2 111/4885MAPT 4736/4885ALDH1A1 203/4885

“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.