SCHEMBL9958843

SCHEMBL9958843

COc1cc(NC(=O)C(=O)c2c(C)n(Cc3ncc(Cl)cc3F)c3ccc(C)cc23)ccn1

nearest known ligand 0.75

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.75
PTGDR2 Q9Y5Y4 3/20 0.35
PLA2G2A P14555 1/20 0.35
PTGS1 P23219 1/20 0.35
SCN10A Q9Y5Y9 1/20 0.35
MAPT P10636 2/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
PKM P14618 1/20 0.34
MAPK3 P27361 1/20 0.34
P2RX3 P56373 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
ROCK1 Q13464 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
SCHEMBL9953355 0.94 FAAH (0.66) FAAHPTGDR2PLA2G2AMAPTALDH1A1
SCHEMBL9953347 0.92 FAAH (0.77) FAAHPTGDR2PLA2G2APTGS1SCN10A
SCHEMBL9959648 0.92 FAAH (0.70) FAAHPTGDR2PLA2G2ASCN10AMAPT
SCHEMBL9959332 0.91 FAAH (0.61) FAAHSCN10AMAPK3P2RX3MAPK1
SCHEMBL9958930 0.90 FAAH (0.60) FAAHPTGS1SCN10AMAPTP2RX3
SCHEMBL2170453 0.88 FAAH (0.79) FAAHPTGDR2PLA2G2APTGS1SCN10A
SCHEMBL9959493 0.86 FAAH (0.81) FAAHPTGDR2PLA2G2APTGS1SCN10A
SCHEMBL10235139 0.86 FAAH (0.55) FAAHPTGDR2PLA2G2ASCN10AMAPT
SCHEMBL2168486 0.86 FAAH (1.00) FAAHPLA2G2AMAPTALDH1A1GAA
SCHEMBL29392296 0.86 FAAH (1.00) FAAHPLA2G2AMAPTALDH1A1GAA

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
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 1/4885PTGDR2 228/4885PLA2G2A 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.