SCHEMBL2159593

SCHEMBL2159593

COc1cc(NC(=O)C(=O)c2c(C)n(Cc3ccc(F)cc3Cl)c3ccc(C)cc23)ccn1

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.73
MAPT P10636 7/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
TP53 P04637 3/20 0.39
P2RX7 Q99572 2/20 0.38
RXFP1 Q9HBX9 1/20 0.37
PTGER3 P43115 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PDE7A Q13946 1/20 0.36
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.36
PLA2G2A P14555 1/20 0.36

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
SCHEMBL2168480 0.94 FAAH (0.64) FAAHMAPTTP53P2RX7RXFP1
SCHEMBL2169983 0.93 FAAH (0.70) FAAHMAPTTP53L3MBTL1PLA2G2A
SCHEMBL2168840 0.92 FAAH (0.62) FAAHMAPTSMN1; SMN2TP53PTGER3
SCHEMBL2167660 0.92 FAAH (0.81) FAAHSMN1; SMN2TP53P2RX7L3MBTL1
SCHEMBL2160923 0.92 FAAH (0.71) FAAHMAPTTP53RXFP1KDM4E
SCHEMBL2169431 0.89 FAAH (0.85) FAAHMAPTTP53KDM4EPKM
SCHEMBL2170453 0.89 FAAH (0.79) FAAHMAPTPLA2G2A
SCHEMBL2161152 0.87 FAAH (0.78) FAAHMAPTTP53KDM4EPKM
SCHEMBL2159918 0.86 FAAH (0.85) FAAHMAPTTP53KDM4EPKM
SCHEMBL2160399 0.85 FAAH (0.71) FAAHMAPTKDM4EPKMPLA2G2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8884020-B2 Indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2014-11-11 US claimed
US-20130224151-A1 Use of FAAH Inhibitors for Treating Abdominal, Visceral and Pelvic Pain UNITED STATES OF AMERICA (US) 2013-08-29 US claimed
EP-2610244-A1 Indole compounds Ironwood Pharmaceuticals, Inc. (US) 2013-07-03 EP claimed
WO-2011085216-A2 USE OF FAAH INHIBITORS FOR TREATING PARKINSON'S DISEASE AND RESTLESS LEGS SYNDROME IRONWOOD PHARMACEUTICALS, INC. (US) 2011-07-14 WO claimed
US-20100197708-A1 INDOLE COMPOUNDS WELLS FARGO BANK, NATIONAL ASSOCIATION 2010-08-05 US claimed
US-20090118503-A1 FAAH INHIBITORS IRONWOOD PHARMACEUTICALS, INC. 2009-05-07 US claimed
US-20130224151-A1 Use of FAAH Inhibitors for Treating Abdominal, Visceral and Pelvic Pain UNITED STATES OF AMERICA (US) 2013-08-29 US disclosed
US-20130150346-A1 Use of FAAH Inhibitors for Treating Parkinson's Disease and Restless Legs Syndrome QUEST VENTURES LTD. (GB) 2013-06-13 US disclosed
WO-2011123719-A2 USE OF FAAH INHIBITORS FOR TREATING ABDOMINAL, VISCERAL AND PELVIC PAIN IRONWOOD PHARMACEUTICALS, INC. (US) 2011-10-06 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-20130224151-A1 Use of FAAH Inhibitors for Treating Abdominal, Visceral and Pelvic Pain FAAH, FAAH2, PNLIP FAAH 1/4885MAPT 4229/4885SMN1; SMN2 3297/4885
US-20100197708-A1 INDOLE COMPOUNDS IDO1, IDO2, TPH2 FAAH 109/4885MAPT 997/4885SMN1; SMN2 3581/4885
US-20090118503-A1 FAAH INHIBITORS FAAH, FAAH2, CNR2 FAAH 1/4885MAPT 2737/4885SMN1; SMN2 4055/4885
US-20130150346-A1 Use of FAAH Inhibitors for Treating Parkinson's Disease and Restless Legs Syndrome FAAH, FAAH2, MGLL FAAH 1/4885MAPT 3165/4885SMN1; SMN2 1332/4885

“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.