SCHEMBL7500409

SCHEMBL7500409

CC1CCCC(C)C1CO

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
GLB1 P16278 1/20 0.33
EPHX1 P07099 1/20 0.32
CYP2C9 P11712 1/20 0.30
TSHR P16473 1/20 0.30
CYP2C19 P33261 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL27530022 0.92 CA1 (0.43) CA1CA2CA4GLB1EPHX1
SCHEMBL11506851 0.85 PABPC1 (0.34) CA1CA2CA4TDP1
SCHEMBL3480002 0.85 CA1 (0.50) CA1CA2CA4GLB1
SCHEMBL11514009 0.85 PABPC1 (0.34) CA1CA2CA4TDP1
SCHEMBL11506853 0.85 PABPC1 (0.34) CA1CA2CA4TDP1
SCHEMBL28135069 0.75
SCHEMBL10060033 0.74
SCHEMBL12765188 0.74
SCHEMBL16705637 0.74
SCHEMBL12508092 0.74

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-10316035-B2 Triazolopyridine inhibitors of myeloperoxidase BRISTOL-MYERS SQUIBB COMPANY (US) 2019-06-11 US disclosed
US-20180244671-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL-MEYERS SQUIBB COMPANY (US) 2018-08-30 US disclosed
WO-2017040450-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-09 WO disclosed
US-20170002017-A1 N-SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-01-05 US disclosed
US-20160304478-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2016-10-20 US disclosed
US-20160304478-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2016-10-20 US disclosed
US-9428452-B2 Compounds GLAXO GROUP LIMITED (GB) 2016-08-30 US disclosed
US-9428452-B2 Compounds GLAXO GROUP LIMITED (GB) 2016-08-30 US disclosed
CN-104718188-A N-substituted benzamides and their use in the treatment of pain GENENTECH INC 2015-06-17 CN disclosed
EP-2855428-A1 N-SUBSTITUTED BENZAMIDES AND THEIR USE IN THE TREATMENT OF PAIN Genentech, Inc. (US) 2015-04-08 EP disclosed
EP-1158982-A4 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2002-06-12 EP disclosed
US-6376496-B1 TREATMENT OF CANCER MERCK & CO., INC. 2002-04-23 US disclosed
EP-1158982-A2 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2001-12-05 EP disclosed
CN-1298400-A Novel cyclic pro-perfumes capable of releasing perfume raw material alcohols at variable rates PROCTER & GAMBLE (US) 2001-06-06 CN disclosed
WO-2001022963-A1 METHOD OF PREVENTING OSTEOPOROSIS MERCK & CO., INC. (US) 2001-04-05 WO disclosed
WO-2000052134-A2 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2000-09-08 WO disclosed
EP-0128654-B1 GEM-DIAMINOALKANE DERIVED SWEETENERS CUMBERLAND PACKING CORPORATION (US) 1989-10-18 EP disclosed
EP-0242896-A2 Novel intermediates useful in the production of gem-diaminoalkane derived sweeteners CUMBERLAND PACKING CORPORATION (US) 1987-10-28 EP disclosed
US-4571345-A 1,1-Diaminoalkane derived sweeteners CUMBERLAND PACKING CORP. (US) 1986-02-18 US disclosed
EP-0128654-A2 Gem-diaminoalkane derived sweeteners CUMBERLAND PACKING CORPORATION (US) 1984-12-19 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 (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-10316035-B2 Triazolopyridine inhibitors of myeloperoxidase EPX, MPO, SERPINB1 CA1 2133/4885CA2 1240/4885CA4 2023/4885
US-20180244671-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE EPX, MPO, SERPINB1 CA1 2133/4885CA2 1240/4885CA4 2023/4885
US-20170002017-A1 N-SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF BRIX1, RDX, SNRPD2 CA1 2456/4885CA2 1660/4885CA4 1497/4885
US-20160304478-A1 NOVEL COMPOUNDS RORC, RORB, RORA CA1 4007/4885CA2 3833/4885CA4 2780/4885

“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.