SCHEMBL2003127

SCHEMBL2003127

CC(C)(C)OC(=O)c1cc2c(Br)cccc2n1C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 1/20 0.44
▸ CHRM4 P08173 1/20 0.44
▸ CHRM1 P11229 1/20 0.44
▸ CHRM3 P20309 1/20 0.44
▸ GABRG2 P18507 2/20 0.42
▸ GABRB3 P28472 2/20 0.42
▸ GABRA5 P31644 2/20 0.42
▸ NR1H2 P55055 11/20 0.40
▸ GABRA1 P14867 1/20 0.40
▸ GABRA2 P47869 1/20 0.40
▸ GABRA6 Q16445 1/20 0.40
▸ CCNB2 O95067 1/20 0.39
▸ CDK1 P06493 1/20 0.39
▸ CCNB1 P14635 1/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ CCNB3 Q8WWL7 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ NR1H3 Q13133 3/20 0.36
▸ CA12 O43570 1/20 0.35
▸ CA9 Q16790 1/20 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
SCHEMBL19013036 0.92 CHRM2 (0.43) CHRM2CHRM4CHRM1CHRM3GABRG2
SCHEMBL12570686 0.85 GABRG2 (0.43) CHRM2CHRM4CHRM1CHRM3GABRG2
SCHEMBL29139756 0.85 NR1H2 (0.44) CHRM2CHRM4CHRM1CHRM3GABRG2
SCHEMBL2008265 0.84 GABRG2 (0.47) CHRM2CHRM4CHRM1CHRM3GABRG2
SCHEMBL19164253 0.81 CHRM2 (0.49) CHRM2CHRM4CHRM1CHRM3GABRG2
SCHEMBL19013504 0.81 CHRM2 (0.44) CHRM2CHRM4CHRM1CHRM3GABRG2
SCHEMBL29631844 0.80 CHRM2 (0.43) CHRM2CHRM4CHRM1CHRM3GABRG2
SCHEMBL18992345 0.80 CHRM2 (0.43) CHRM2CHRM4CHRM1CHRM3GABRG2
SCHEMBL31303052 0.79 CHRM2 (0.42) CHRM2CHRM4CHRM1CHRM3GABRG2
SCHEMBL20226388 0.78 CHRM2 (0.46) CHRM2CHRM4CHRM1CHRM3GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8884020-B2 Indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2014-11-11 — — US disclosed
US-8884020-B2 Indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2014-11-11 — — US disclosed
US-8884020-B2 Indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2014-11-11 — — US disclosed
EP-2610244-A1 Indole compounds Ironwood Pharmaceuticals, Inc. (US) 2013-07-03 — — EP disclosed
EP-2610244-A1 Indole compounds Ironwood Pharmaceuticals, Inc. (US) 2013-07-03 — — EP disclosed
US-7960544-B2 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2011-06-14 — — US disclosed
US-7960544-B2 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2011-06-14 — — US disclosed
US-7960544-B2 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2011-06-14 — — US disclosed
US-20100197708-A1 INDOLE COMPOUNDS WELLS FARGO BANK, NATIONAL ASSOCIATION 2010-08-05 — — US disclosed
US-20100197708-A1 INDOLE COMPOUNDS WELLS FARGO BANK, NATIONAL ASSOCIATION 2010-08-05 — — US disclosed
US-20100197708-A1 INDOLE COMPOUNDS WELLS FARGO BANK, NATIONAL ASSOCIATION 2010-08-05 — — US disclosed
US-20090264653-A1 USEFUL INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. 2009-10-22 — — US disclosed
US-20090264653-A1 USEFUL INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. 2009-10-22 — — US disclosed
US-20090264653-A1 USEFUL INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. 2009-10-22 — — US disclosed
EP-2049520-A2 INDOLE COMPOUNDS Ironwood Pharmaceuticals, Inc. (US) 2009-04-22 — — EP disclosed
WO-2008019357-A2 INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. (US) 2008-02-14 — — 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 (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-20100197708-A1 INDOLE COMPOUNDS IDO1, IDO2, TPH2 CHRM2 1522/4885CHRM4 1161/4885CHRM1 1340/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT CHRM2 3393/4885CHRM4 3154/4885CHRM1 3409/4885

“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.

Send feedback