SCHEMBL4376884

SCHEMBL4376884

CCOC(=O)Cc1c(C)[nH]c2cc(Cl)c(OC)cc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.61
MTNR1B P49286 4/20 0.61
LMNA P02545 4/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
MAPT P10636 3/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
KDM4E B2RXH2 3/20 0.44
AKR1C2 P52895 1/20 0.44
ALDH1A1 P00352 2/20 0.43
GAA P10253 2/20 0.43
HPGD P15428 1/20 0.43
DPP4 P27487 2/20 0.40
GABRA1 P14867 2/20 0.40
GABRA5 P31644 2/20 0.40
GABRA3 P34903 2/20 0.40
GABRA2 P47869 2/20 0.40
GABRA6 Q16445 2/20 0.40
GABRG2 P18507 1/20 0.40

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
SCHEMBL14610566 0.92 MTNR1A (0.57) MTNR1AMTNR1BLMNAL3MBTL1MAPT
SCHEMBL11331437 0.88 KDM4E (0.49) MTNR1AMTNR1BLMNAMAPTMEN1
SCHEMBL4052655 0.86 MTNR1A (0.65) MTNR1AMTNR1BLMNAL3MBTL1MAPT
SCHEMBL14438059 0.85 MTNR1A (0.58) MTNR1AMTNR1BLMNAL3MBTL1MAPT
SCHEMBL13229806 0.85 LMNA (0.47) MTNR1AMTNR1BLMNAL3MBTL1MAPT
SCHEMBL8296306 0.78 PRSS1 (0.55) LMNAMAPTMEN1KMT2AKDM4E
SCHEMBL5605077 0.77 AKR1C2 (0.74) MTNR1AMTNR1BLMNAL3MBTL1MAPT
SCHEMBL14107039 0.76 MTNR1A (0.50) MTNR1AMTNR1BLMNAMAPTMEN1
SCHEMBL11615487 0.76 MTNR1A (1.00) MTNR1AMTNR1BLMNAMEN1KMT2A
SCHEMBL27889099 0.75 LMNA (0.47) MTNR1AMTNR1BLMNAL3MBTL1KDM4E

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 15 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
EP-2610244-A1 Indole compounds Ironwood Pharmaceuticals, Inc. (US) 2013-07-03 EP disclosed
CN-102850324-A Indole compounds MICROBIA INC 2013-01-02 CN 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-20090264653-A1 USEFUL INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. 2009-10-22 US disclosed
US-20090118503-A1 FAAH INHIBITORS IRONWOOD PHARMACEUTICALS, INC. 2009-05-07 US disclosed
EP-2049520-A2 INDOLE COMPOUNDS Ironwood Pharmaceuticals, Inc. (US) 2009-04-22 EP disclosed
EP-1931632-A2 USEFUL INDOLE COMPOUNDS Microbia Inc. (US) 2008-06-18 EP disclosed
WO-2008019357-A2 INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. (US) 2008-02-14 WO disclosed
US-20070203209-A1 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. 2007-08-30 US disclosed
US-20070203209-A1 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. 2007-08-30 US disclosed
WO-2007022501-A2 USEFUL INDOLE COMPOUNDS MICROBIA, INC. (US) 2007-02-22 WO disclosed
WO-2007022501-A2 USEFUL INDOLE COMPOUNDS MICROBIA, INC. (US) 2007-02-22 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 (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-20100197708-A1 INDOLE COMPOUNDS IDO1, IDO2, TPH2 MTNR1A 39/4885MTNR1B 30/4885LMNA 3450/4885
US-20070203209-A1 Useful indole compounds TPH2, HRH2, HRH1 MTNR1A 30/4885MTNR1B 22/4885LMNA 4592/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT MTNR1A 281/4885MTNR1B 168/4885LMNA 4536/4885
US-20090118503-A1 FAAH INHIBITORS FAAH, FAAH2, CNR2 MTNR1A 186/4885MTNR1B 104/4885LMNA 4089/4885

“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.