SCHEMBL9959645

SCHEMBL9959645

COc1cc(NC(=O)C(=O)c2c(C)n(Cc3ccc(Cl)cn3)c3ccc(Cl)cc23)ccn1

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.74
PLA2G4A P47712 1/20 0.39
PLA2G2A P14555 1/20 0.37
P2RX3 P56373 7/20 0.37
SCN10A Q9Y5Y9 1/20 0.37
CNR1 P21554 1/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
PKM P14618 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
SCHEMBL9959493 0.96 FAAH (0.81) FAAHPLA2G4APLA2G2AP2RX3SCN10A
SCHEMBL9958758 0.94 FAAH (0.71) FAAHPLA2G2AP2RX3MAPTALDH1A1
SCHEMBL9953576 0.94 FAAH (0.70) FAAHPLA2G4APLA2G2AP2RX3SCN10A
SCHEMBL10234781 0.93 FAAH (0.69) FAAHPLA2G4APLA2G2AP2RX3SCN10A
SCHEMBL9959093 0.92 FAAH (0.68) FAAHPLA2G2ACNR1MAPT
SCHEMBL9958621 0.92 FAAH (0.67) FAAHPLA2G4APLA2G2AP2RX3SCN10A
SCHEMBL9953101 0.91 FAAH (0.66) FAAHPLA2G4APLA2G2AP2RX3MAPT
SCHEMBL9953502 0.90 FAAH (0.65) FAAHPLA2G4AP2RX3SCN10ACNR1
SCHEMBL9958563 0.90 FAAH (0.65) FAAHP2RX3SCN10ACNR1MAPT
SCHEMBL9953596 0.90 FAAH (0.65) FAAHPLA2G4AP2RX3SCN10ACNR1

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 11 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
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 1/4885PLA2G4A 37/4885PLA2G2A 63/4885

“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.