SCHEMBL2170453

SCHEMBL2170453

COc1cc(NC(=O)C(=O)c2c(C)n(Cc3ccc(Cl)cc3F)c3ccc(C)cc23)ccn1

nearest known ligand 0.79

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.79
PTGDR2 Q9Y5Y4 4/20 0.39
PTGS1 P23219 1/20 0.39
PLA2G4A P47712 1/20 0.36
PLA2G2A P14555 2/20 0.36
SCN10A Q9Y5Y9 1/20 0.36
RIPK3 Q9Y572 2/20 0.35
MAPT P10636 1/20 0.35
CNR1 P21554 1/20 0.35
THRB P10828 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
SCHEMBL2167579 0.94 FAAH (0.69) FAAHPTGDR2PTGS1PLA2G2AMAPT
SCHEMBL2169594 0.92 FAAH (0.66) FAAHPLA2G4AMAPTCNR1THRB
SCHEMBL2167660 0.92 FAAH (0.81) FAAHPTGDR2PTGS1PLA2G4APLA2G2A
SCHEMBL2160923 0.92 FAAH (0.71) FAAHPTGDR2PLA2G2AMAPT
SCHEMBL9958687 0.91 FAAH (0.64) FAAHPTGDR2PLA2G4ASCN10ARIPK3
SCHEMBL2159593 0.89 FAAH (0.73) FAAHPLA2G2AMAPT
SCHEMBL29392296 0.88 FAAH (1.00) FAAHPLA2G2AMAPT
SCHEMBL2168486 0.88 FAAH (1.00) FAAHPLA2G2AMAPT
SCHEMBL2169983 0.88 FAAH (0.70) FAAHPTGDR2PLA2G2AMAPTCNR1
SCHEMBL9958843 0.88 FAAH (0.75) FAAHPTGDR2PTGS1PLA2G2ASCN10A

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 10 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
US-20130150346-A1 Use of FAAH Inhibitors for Treating Parkinson's Disease and Restless Legs Syndrome QUEST VENTURES LTD. (GB) 2013-06-13 US 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 1/4885PTGDR2 181/4885PTGS1 167/4885
US-20100197708-A1 INDOLE COMPOUNDS IDO1, IDO2, TPH2 FAAH 109/4885PTGDR2 68/4885PTGS1 34/4885
US-20090118503-A1 FAAH INHIBITORS FAAH, FAAH2, CNR2 FAAH 1/4885PTGDR2 47/4885PTGS1 22/4885
US-20130150346-A1 Use of FAAH Inhibitors for Treating Parkinson's Disease and Restless Legs Syndrome FAAH, FAAH2, MGLL FAAH 1/4885PTGDR2 136/4885PTGS1 340/4885

“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.