SCHEMBL9958868

SCHEMBL9958868

COc1cc(NC(=O)C(=O)c2c(C)n(Cc3ncc(Cl)cc3Cl)c3cc(Cl)c(OC)cc23)ccn1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.63
SCN10A Q9Y5Y9 1/20 0.35
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
CNR1 P21554 1/20 0.33
PLA2G4A P47712 1/20 0.33
PLA2G2A P14555 4/20 0.33
HTT P42858 1/20 0.32
MAPK3 P27361 1/20 0.32
PLA2G10 O15496 1/20 0.32
PLA2G1B P04054 1/20 0.32
PLA2G5 P39877 1/20 0.32
PLA2G2E Q9NZK7 1/20 0.32
WNT1 P04628 1/20 0.32
DYRK1A Q13627 1/20 0.32
MAPT P10636 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL9958930 0.93 FAAH (0.60) FAAHSCN10APTGS1PTGS2CNR1
SCHEMBL9953581 0.93 FAAH (0.60) FAAHSCN10AMAPK3
SCHEMBL9953347 0.90 FAAH (0.77) FAAHSCN10APTGS1CNR1PLA2G4A
SCHEMBL9953596 0.89 FAAH (0.65) FAAHSCN10APTGS1PTGS2CNR1
SCHEMBL9958835 0.89 FAAH (0.68) FAAHPLA2G2AMAPTALDH1A1
SCHEMBL9959580 0.89 FAAH (0.65) FAAHPLA2G2AMAPT
SCHEMBL9952056 0.89 FAAH (0.80) FAAHPTGS1PTGS2CNR1PLA2G2A
SCHEMBL9959332 0.88 FAAH (0.61) FAAHSCN10ACNR1MAPK3
SCHEMBL9953502 0.86 FAAH (0.65) FAAHSCN10ACNR1PLA2G4AMAPT
SCHEMBL9959484 0.85 FAAH (0.80) FAAHSCN10ACNR1PLA2G2AMAPT

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-9657012-B2 FAAH inhibitors IRONWOOD PHARMACEUTICALS, INC. (US) 2017-05-23 US disclosed
US-9657012-B2 FAAH inhibitors IRONWOOD PHARMACEUTICALS, INC. (US) 2017-05-23 US disclosed
US-9657012-B2 FAAH inhibitors IRONWOOD PHARMACEUTICALS, INC. (US) 2017-05-23 US disclosed
EP-2655356-B1 FAAH INHIBITORS IRONWOOD PHARMACEUTICALS INC (US) 2016-08-03 EP disclosed
EP-2655356-B1 FAAH INHIBITORS IRONWOOD PHARMACEUTICALS INC (US) 2016-08-03 EP disclosed
US-20150175599-A1 FAAH Inhibitors IRONWOOD PHARMACEUTICALS, INC. (US) 2015-06-25 US disclosed
WO-2014004676-A1 USE OF FAAH INHIBITORS AS NEUROPROTECTIVE AGENTS IN THE CNS IRONWOOD PHARMACEUTICALS, INC. (US) 2014-01-03 WO disclosed
EP-2655356-A1 FAAH INHIBITORS Ironwood Pharmaceuticals, Inc. (US) 2013-10-30 EP disclosed
WO-2012088469-A1 FAAH INHIBITORS IRONWOOD PHARMACEUTICALS, INC. (US) 2012-06-28 WO disclosed
WO-2012088469-A1 FAAH INHIBITORS IRONWOOD PHARMACEUTICALS, INC. (US) 2012-06-28 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 (1 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-20150175599-A1 FAAH Inhibitors FAAH, FAAH2, ASAH1 FAAH 1/4885SCN10A 1371/4885PTGS1 196/4885

“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.