SCHEMBL1697828

SCHEMBL1697828

CC1CCC(C(C)C)[C](O)C1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.35
TRPM8 Q7Z2W7 2/20 0.35
NPC1 O15118 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
EPHX1 P07099 1/20 0.31
ESR2 Q92731 1/20 0.30

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
SCHEMBL8444804 0.76 NPC1 (0.34) TRPA1TRPM8NPC1L3MBTL1
SCHEMBL2121390 0.74 NOS3 (0.35) TRPA1TRPM8NPC1L3MBTL1
Menthone SCHEMBL901274 0.74 TLR4 (0.39) TRPA1TRPM8NPC1L3MBTL1
SCHEMBL6248974 0.74 TRPA1 (0.30) TRPA1TRPM8NPC1L3MBTL1
Menthone SCHEMBL13255148 0.74 TLR4 (0.39) TRPA1TRPM8NPC1L3MBTL1
SCHEMBL23332079 0.74 NOS3 (0.31) TRPA1TRPM8NPC1L3MBTL1
Rel-Menthone SCHEMBL21711 0.74 TLR4 (0.39) TRPA1TRPM8NPC1L3MBTL1
Menthone SCHEMBL4395963 0.74 TLR4 (0.39) TRPA1TRPM8NPC1L3MBTL1
Menthone SCHEMBL21709 0.74 TLR4 (0.39) TRPA1TRPM8NPC1L3MBTL1
Rel-Menthone SCHEMBL1868327 0.74 TLR4 (0.39) TRPA1TRPM8NPC1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7531547-B2 Diaminopyrimidines as P2X3 and P2X2/3 modulators ROCHE PALO ALTO LLC (US) 2009-05-12 US claimed
US-20070049758-A1 Urogenital disorders; incotinence; analgesics; respiratory system disorders; gastrointestinal disorders; premenstrual tension ROCHE PALO ALTO LLC 2007-03-01 US claimed
WO-2024042550-A1 OPHTHALMIC COMBINATION COMPOSITION SENTISS PHARMA PRIVATE LIMITED (IN) 2024-02-29 WO disclosed
US-9957613-B2 Laminate, barrier film and method for manufacturing these TOPPAN PRINTING CO., LTD. (JP) 2018-05-01 US disclosed
EP-1924564-B1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 MODULATORS HOFFMANN LA ROCHE (CH) 2016-11-09 EP disclosed
US-20160017491-A1 LAMINATE, BARRIER FILM AND METHOD FOR MANUFACTURING THESE TOPPAN PRINTING CO., LTD. (JP) 2016-01-21 US disclosed
WO-2013130660-A1 AMIDES AS PIM INHIBITORS AMGEN INC. (US) 2013-09-06 WO disclosed
CN-101296907-B Diaminopyrimidines as P2X3 and P2X2/3 modulators HOFFMANN LA ROCHE 2013-03-27 CN disclosed
WO-2011139842-A2 NUCLEIC ACID COMPOUNDS FOR INHIBITING FGFR3 GENE EXPRESSION AND USES THEREOF MARINA BIOTECH, INC. (US) 2011-11-10 WO disclosed
US-7531547-B2 Diaminopyrimidines as P2X3 and P2X2/3 modulators ROCHE PALO ALTO LLC (US) 2009-05-12 US disclosed
CN-101296907-A Diaminopyrimidines as P2X3 and P2X2/3 modulators ROCHE PALO ALTO LLC (CH) 2008-10-29 CN disclosed
EP-1112995-B1 ALICYCLIC COMPOUNDS AND CURABLE RESIN COMPOSITION NISSAN CHEMICAL IND LTD (JP) 2007-04-11 EP disclosed
WO-2007025899-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2007-03-08 WO disclosed
US-20070049758-A1 Urogenital disorders; incotinence; analgesics; respiratory system disorders; gastrointestinal disorders; premenstrual tension ROCHE PALO ALTO LLC 2007-03-01 US disclosed
EP-1112995-A1 ALICYCLIC COMPOUNDS AND CURABLE RESIN COMPOSITION Nissan Chemical Industries, Ltd. (JP) 2001-07-04 EP disclosed
US-4504478-A Cephalosporin-1-oxide derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (FR) 1985-03-12 US disclosed
EP-0120402-A1 Base precursor FUJI PHOTO FILM CO., LTD. (JP) 1984-10-03 EP disclosed
EP-0015274-A1 IMPROVED ENKEPHALIN DERIVATIVES KASTIN, Abba J. (US) 1980-09-17 EP disclosed
WO-1980000022-A1 IMPROVED ENKEPHALIN DERIVATIVES KASTIN A (US) 1980-01-10 WO disclosed
US-4001068-A PROCESS FOR SEALING GLASS TO METAL IMC CHEMICAL GROUP, INC. (US) 1977-01-04 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 (1 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-20070049758-A1 Urogenital disorders; incotinence; analgesics; respiratory system disorders; gastrointestinal disorders; premenstrual tension P2RX3, P2RX1, P2RX2 TRPA1 129/4885TRPM8 488/4885NPC1 4243/4885

“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.