SCHEMBL3513898

SCHEMBL3513898

C=C(C(=O)Cl)c1ccoc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.42
PTPN6 P29350 1/20 0.42
PTPN11 Q06124 1/20 0.42
TRPA1 O75762 1/20 0.41
MAPT P10636 3/20 0.40
CYP3A4 P08684 1/20 0.40
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHRNA4 P43681 1/20 0.37
KCNK3 O14649 1/20 0.37
KCNK9 Q9NPC2 1/20 0.37
RECQL P46063 1/20 0.36
GPR52 Q9Y2T5 1/20 0.36
MEN1 O00255 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35

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
SCHEMBL564791 0.81 MAPT (0.44) PTPN1PTPN6PTPN11TRPA1MAPT
Hydrochloric Acid SCHEMBL9261456 0.79 MAPT (0.43) PTPN1PTPN6PTPN11TRPA1MAPT
SCHEMBL1380931 0.79 RAB9A (0.41) PTPN1PTPN6PTPN11TRPA1MAPT
SCHEMBL30466241 0.78 TRPA1 (0.43) PTPN1PTPN6PTPN11TRPA1MAPT
SCHEMBL11259261 0.78
SCHEMBL7912 0.78
SCHEMBL4280891 0.74 TSHR (0.38) MAPTALDH1A1HPGD
SCHEMBL6966817 0.72
SCHEMBL8865985 0.72 TRPA1 (0.39) PTPN1PTPN6PTPN11TRPA1MAPT
SCHEMBL8866037 0.72 TRPA1 (0.48) PTPN1PTPN6PTPN11TRPA1MAPT

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 13 patents. 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
EP-0787721-B1 4a-ARYLDECAHYDROISOQUINOLINE COMPOUNDS AND MEDICINAL USES THEREOF TORAY INDUSTRIES (JP) 1999-04-28 EP disclosed
US-5824670-A ANTIINFLAMMATORY AGENTS; TREATING DERMATOSES HOECHST AKTIENGESELLSCHAFT (DE) 1998-10-20 US disclosed
US-5776945-A CARDIOVASCULAR, CEREBRAL CYTOPROTECTIVE TORAY INDUSTRIES, INC. (JP) 1998-07-07 US disclosed
EP-0787721-A1 4a-ARYLDECAHYDROISOQUINOLINE COMPOUNDS AND MEDICINAL USES THEREOF TORAY INDUSTRIES, INC. (JP) 1997-08-06 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-20100216995-A1 (+)-6-Hydroxy-Morphinan or (+)-6-Amino-Morphinan Derivatives GRM6, HTR6, GRIN3B PTPN1 3509/4885PTPN6 1716/4885PTPN11 3450/4885
US-20140031543-A1 (+)-6-Hydroxy-Morphinan or (+)-6-Amino-Morphinan Derivatives GRM6, HTR6, GRIN3B PTPN1 3509/4885PTPN6 1716/4885PTPN11 3450/4885

“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.