SCHEMBL2167660

SCHEMBL2167660

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

nearest known ligand 0.81

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.81
RECQL P46063 1/20 0.40
THRB P10828 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
PLA2G2A P14555 2/20 0.38
CNR1 P21554 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PLA2G4A P47712 1/20 0.37
TP53 P04637 2/20 0.37
SCN10A Q9Y5Y9 1/20 0.37
P2RX7 Q99572 1/20 0.36
JAK2 O60674 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL2160399 0.94 FAAH (0.71) FAAHRECQLPTGDR2PLA2G2AALDH1A1
SCHEMBL2169983 0.93 FAAH (0.70) FAAHRECQLTHRBPTGDR2PLA2G2A
SCHEMBL2170453 0.92 FAAH (0.79) FAAHTHRBPTGS1PTGDR2PLA2G2A
SCHEMBL2159593 0.92 FAAH (0.73) FAAHPLA2G2AL3MBTL1TP53P2RX7
SCHEMBL2227880 0.92 FAAH (0.68) FAAHRECQLTHRBCNR1ALDH1A1
SCHEMBL29392296 0.90 FAAH (1.00) FAAHPLA2G2AALDH1A1LMNAHTT
SCHEMBL2168486 0.90 FAAH (1.00) FAAHPLA2G2AALDH1A1LMNAHTT
SCHEMBL9952414 0.88 FAAH (0.64) FAAHRECQLTHRBCNR1TP53
SCHEMBL9953347 0.88 FAAH (0.77) FAAHPTGS1PTGDR2PLA2G2ACNR1
SCHEMBL2169687 0.87 FAAH (0.91) FAAHPLA2G2APLA2G4AALDH1A1LMNA

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 12 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
WO-2014004676-A1 USE OF FAAH INHIBITORS AS NEUROPROTECTIVE AGENTS IN THE CNS IRONWOOD PHARMACEUTICALS, INC. (US) 2014-01-03 WO 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-2011123719-A2 USE OF FAAH INHIBITORS FOR TREATING ABDOMINAL, VISCERAL AND PELVIC PAIN IRONWOOD PHARMACEUTICALS, INC. (US) 2011-10-06 WO 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 1/4885RECQL 2286/4885THRB 4144/4885
US-20100197708-A1 INDOLE COMPOUNDS IDO1, IDO2, TPH2 FAAH 109/4885RECQL 4469/4885THRB 995/4885
US-20090118503-A1 FAAH INHIBITORS FAAH, FAAH2, CNR2 FAAH 1/4885RECQL 4194/4885THRB 1662/4885
US-20130150346-A1 Use of FAAH Inhibitors for Treating Parkinson's Disease and Restless Legs Syndrome FAAH, FAAH2, MGLL FAAH 1/4885RECQL 417/4885THRB 2487/4885

“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.