SCHEMBL343450

SCHEMBL343450

CC1(c2ccccc2)CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
OPRL1 P41146 4/20 0.44
LMNA P02545 3/20 0.41
OPRM1 P35372 1/20 0.41
OPRK1 P41145 1/20 0.41
TSHR P16473 4/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CYP2C19 P33261 2/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
RAB9A P51151 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ICMT O60725 1/20 0.39
CYP1A2 P05177 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
USP2 O75604 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL19381874 0.87 ALDH1A1 (0.39) ALDH1A1OPRL1LMNAOPRM1OPRK1
SCHEMBL498014 0.83 OPRM1 (0.50) ALDH1A1OPRL1LMNAOPRM1OPRK1
Ammonia Solution, Strong SCHEMBL9556021 0.80 OPRM1 (0.48) ALDH1A1OPRL1LMNAOPRM1OPRK1
SCHEMBL10168756 0.80 LMNA (0.41) LMNAOPRM1CYP2C19CYP2C9TDP1
SCHEMBL17807530 0.78 ALDH1A1 (0.41) ALDH1A1
SCHEMBL5211296 0.78 TAAR1 (0.43) ALDH1A1LMNAMAPTL3MBTL1HSD17B10
SCHEMBL16357120 0.78 ALDH1A1 (0.42) ALDH1A1LMNAMAPTL3MBTL1
SCHEMBL26502704 0.78 HDAC3 (0.38) OPRL1LMNASMN1; SMN2
SCHEMBL353050 0.78 OPRL1 (0.46) OPRL1OPRM1OPRK1
SCHEMBL43078 0.78 DPP4 (0.46) OPRL1OPRM1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912708-B2 Macrocyclic heterocycles and uses thereof KUMQUAT BIOSCIENCES INC. (US) 2024-02-27 US disclosed
US-11814380-B2 Benzylamino substituted pyridopyrimidinones and derivatives as SOS1 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-11-14 US disclosed
US-20230339952-A1 MACROCYCLIC HETEROCYCLES AND USES THEREOF KUMQUAT BIOSCIENCES INC. 2023-10-26 US disclosed
US-20230190763-A1 Cyclopentathiophene Carboxamide Derivatives as Platelet Activating Factor Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-06-22 US disclosed
US-20230190763-A1 Cyclopentathiophene Carboxamide Derivatives as Platelet Activating Factor Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-06-22 US disclosed
WO-2021242844-A1 GRK2 INHIBITORS AND USES THEREOF CYGNAL THERAPEUTICS, INC. (US) 2021-12-02 WO disclosed
US-11187981-B2 Resist composition and method of forming resist pattern TOKYO OHKA KOGYO CO., LTD. (JP) 2021-11-30 US disclosed
US-11061329-B2 Resist composition, method of forming resist pattern, polymeric compound, and compound TOKYO OHKA KOGYO CO., LTD. (JP) 2021-07-13 US disclosed
US-10908502-B2 Resist composition, method of forming resist pattern, polymeric compound, and compound TOKYO OHKA KOGYO CO., LTD. (JP) 2021-02-02 US disclosed
US-20210009588-A1 NOVEL BENZYLAMINO SUBSTITUTED PYRIDOPYRIMIDINONES AND DERIVATIVES AS SOS1 INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2021-01-14 US disclosed
US-20090163498-A1 Aryl Sulfonamides CHEMOCENTRYX, INC. (US) 2009-06-25 US disclosed
US-20090163498-A1 Aryl Sulfonamides CHEMOCENTRYX, INC. (US) 2009-06-25 US disclosed
US-20090163498-A1 Aryl Sulfonamides CHEMOCENTRYX, INC. (US) 2009-06-25 US disclosed
US-7420055-B2 Antagonists of the chemokine receptor 9 (CCR9); inhibit TECK ligand; antiinflammatory agents and immunoregulators; inflammatory bowel disease; (2-phenylsulfonamidophenyl)-pyridinyl-methanones; N-[4-chloro-2(pyridine4-carbonyl)-phenyl]4-morpholin-4-yl-benzenesulfonamide CHEMOCENTRYX, INC. (US) 2008-09-02 US disclosed
US-7420055-B2 Antagonists of the chemokine receptor 9 (CCR9); inhibit TECK ligand; antiinflammatory agents and immunoregulators; inflammatory bowel disease; (2-phenylsulfonamidophenyl)-pyridinyl-methanones; N-[4-chloro-2(pyridine4-carbonyl)-phenyl]4-morpholin-4-yl-benzenesulfonamide CHEMOCENTRYX, INC. (US) 2008-09-02 US disclosed
US-7420055-B2 Antagonists of the chemokine receptor 9 (CCR9); inhibit TECK ligand; antiinflammatory agents and immunoregulators; inflammatory bowel disease; (2-phenylsulfonamidophenyl)-pyridinyl-methanones; N-[4-chloro-2(pyridine4-carbonyl)-phenyl]4-morpholin-4-yl-benzenesulfonamide CHEMOCENTRYX, INC. (US) 2008-09-02 US disclosed
EP-1045836-B1 PYRIDONES AS SRC FAMILY SH2 DOMAIN INHIBITORS BOEHRINGER INGELHEIM PHARMA (US) 2008-03-05 EP disclosed
US-20060111351-A1 Aryl sulfonamides CHEMOCENTRYX, INC. 2006-05-25 US disclosed
WO-2005112925-A1 ARYL SULFONAMIDES CHEMOCENTRYX (US) 2005-12-01 WO disclosed
US-20050137193-A1 Aryl sulfonamides CHEMOCENTREYX 2005-06-23 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 (10 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-11061329-B2 Resist composition, method of forming resist pattern, polymeric compound, and compound RER1, ABCC1, CROCC ALDH1A1 735/4885OPRL1 895/4885LMNA 2762/4885
US-20050137193-A1 Aryl sulfonamides CCR9, CCR1, CCR2 ALDH1A1 1655/4885OPRL1 215/4885LMNA 4484/4885
US-11912708-B2 Macrocyclic heterocycles and uses thereof HRAS, KRAS, TP53 ALDH1A1 4341/4885OPRL1 4345/4885LMNA 2455/4885
US-20060111351-A1 Aryl sulfonamides CCR9, CCR1, CCR2 ALDH1A1 1655/4885OPRL1 215/4885LMNA 4484/4885
US-20210009588-A1 NOVEL BENZYLAMINO SUBSTITUTED PYRIDOPYRIMIDINONES AND DERIVATIVES AS SOS1 INHIBITORS SOS1, SOST, SOS2 ALDH1A1 1453/4885OPRL1 934/4885LMNA 2446/4885
US-10908502-B2 Resist composition, method of forming resist pattern, polymeric compound, and compound RER1, ABCC1, PSMC6 ALDH1A1 519/4885OPRL1 385/4885LMNA 3368/4885
US-11814380-B2 Benzylamino substituted pyridopyrimidinones and derivatives as SOS1 inhibitors SOS1, SOST, BMP1 ALDH1A1 1272/4885OPRL1 1375/4885LMNA 2197/4885
US-20090163498-A1 Aryl Sulfonamides CCR9, CCR1, CCR2 ALDH1A1 1655/4885OPRL1 215/4885LMNA 4484/4885
US-20230190763-A1 Cyclopentathiophene Carboxamide Derivatives as Platelet Activating Factor Receptor Antagonists PTAFR, PDGFRA, PDGFRB ALDH1A1 1454/4885OPRL1 382/4885LMNA 4583/4885
US-20230339952-A1 MACROCYCLIC HETEROCYCLES AND USES THEREOF HRAS, KRAS, TP53 ALDH1A1 4341/4885OPRL1 4345/4885LMNA 2455/4885

“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.