SCHEMBL9953347

SCHEMBL9953347

COc1cc(NC(=O)C(=O)c2c(C)n(Cc3ncc(Cl)cc3Cl)c3ccc(C)cc23)ccn1

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.77
PLA2G2A P14555 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.36
MAPK3 P27361 1/20 0.36
MAPT P10636 2/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
PTGDR2 Q9Y5Y4 2/20 0.35
PTGS1 P23219 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CNR1 P21554 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
P2RY12 Q9H244 1/20 0.34
PLA2G4A P47712 1/20 0.33

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
SCHEMBL9958835 0.94 FAAH (0.68) FAAHPLA2G2AMAPTALDH1A1PKM
SCHEMBL9958843 0.92 FAAH (0.75) FAAHPLA2G2ASCN10AMAPK3MAPT
SCHEMBL9959580 0.92 FAAH (0.65) FAAHPLA2G2AMAPT
SCHEMBL9958868 0.90 FAAH (0.63) FAAHPLA2G2ASCN10AMAPK3MAPT
SCHEMBL9953581 0.88 FAAH (0.60) FAAHSCN10AMAPK3
SCHEMBL9959493 0.88 FAAH (0.81) FAAHPLA2G2ASCN10AMAPTPTGDR2
SCHEMBL2167660 0.88 FAAH (0.81) FAAHPLA2G2ASCN10AALDH1A1PTGDR2
SCHEMBL2168486 0.87 FAAH (1.00) FAAHPLA2G2AMAPTALDH1A1GAA
SCHEMBL29392296 0.87 FAAH (1.00) FAAHPLA2G2AMAPTALDH1A1GAA
SCHEMBL9953055 0.86 FAAH (0.67) FAAHPLA2G2AMAPTALDH1A1PKM

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-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
US-20150175599-A1 FAAH Inhibitors IRONWOOD PHARMACEUTICALS, INC. (US) 2015-06-25 US disclosed
CN-103502237-A FAAH inhibitors IRONWOOD PHARMACEUTICALS INC 2014-01-08 CN 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 1/4885PLA2G2A 63/4885SCN10A 1371/4885

“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.