SCHEMBL2096220

SCHEMBL2096220

CO[CH]C(=O)N(c1ccc(CF)cc1)C1CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPM8 Q7Z2W7 3/20 0.38
▸ HRH3 Q9Y5N1 3/20 0.37
▸ CHRM3 P20309 2/20 0.36
▸ CHRM2 P08172 1/20 0.36
▸ OPRM1 P35372 5/20 0.35
▸ SIGMAR1 Q99720 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ MITF O75030 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ PAX8 Q06710 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ BCL2A1 Q16548 1/20 0.34
▸ SLC22A1 O15245 1/20 0.34
▸ NR1I2 O75469 1/20 0.34
▸ ABCB1 P08183 1/20 0.34
▸ CHRM1 P11229 1/20 0.34

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
SCHEMBL2094198 0.93 TRPM8 (0.46) TRPM8HRH3KDM4EMEN1NPC1
SCHEMBL6003174 0.81 TRPM8 (0.43) TRPM8HRH3KDM4EMEN1NPC1
SCHEMBL2096223 0.81 OPRM1 (0.41) TRPM8HRH3CHRM3CHRM2OPRM1
SCHEMBL2097750 0.77 MEN1 (0.42) HRH3CHRM3CHRM2OPRM1SIGMAR1
SCHEMBL2097748 0.77 MEN1 (0.42) HRH3CHRM3CHRM2OPRM1SIGMAR1
SCHEMBL2096218 0.75 TACR1 (0.40) TRPM8HRH3CHRM3CHRM2OPRM1
SCHEMBL2094200 0.75 MEN1 (0.48) TRPM8OPRM1KDM4EMEN1NPC1
SCHEMBL6003176 0.71 MEN1 (0.47) TRPM8HRH3OPRM1SIGMAR1KDM4E
SCHEMBL2094924 0.71 MEN1 (0.52) TRPM8HRH3CHRM3CHRM2OPRM1
SCHEMBL2094921 0.71 MEN1 (0.52) TRPM8HRH3CHRM3CHRM2OPRM1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163753-B2 2-(4-(4-(4-chlorophenyl)oxazol-2-yl)phenoxymethyl)-2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazole; bactericide; excellent bactericidal action against Mycobacterium tuberculosis, multi-drug-resistant Mycobacterium tuberculosis, and atypical acid-fast bacteria OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-04-24 — — US disclosed
CN-100497345-C 2, 3-dihydro-6-nitroimidazolo [2,1-b] oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2009-06-10 — — CN disclosed
EP-1678185-B1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMA CO LTD (JP) 2008-10-08 — — EP disclosed
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis OTSUKA PHAMACEUTICAL CO., LTD. (JP) 2008-05-22 — — US disclosed
CN-1878777-A 2,3-dihydro-6-nitroimidazo (2,1-b) oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2006-12-13 — — CN disclosed
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 — — EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 — — WO 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-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 TRPM8 4001/4885HRH3 538/4885CHRM3 1184/4885

“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.

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