SCHEMBL9953502

SCHEMBL9953502

COc1cc(NC(=O)C(=O)c2c(C)n(Cc3ccc(Cl)cn3)c3cc(OC)c(Cl)cc23)ccn1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.65
P2RX3 P56373 8/20 0.35
SCN10A Q9Y5Y9 1/20 0.35
CNR1 P21554 1/20 0.35
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
ALOX15 P16050 1/20 0.34
CYP2C19 P33261 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PLA2G4A P47712 1/20 0.34
NTRK1 P04629 2/20 0.34
MAPT P10636 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
SCHEMBL9953596 0.97 FAAH (0.65) FAAHP2RX3SCN10ACNR1NPC1
SCHEMBL9958563 0.92 FAAH (0.65) FAAHP2RX3SCN10ACNR1NTRK1
SCHEMBL9958621 0.92 FAAH (0.67) FAAHP2RX3SCN10ACNR1PLA2G4A
SCHEMBL9952749 0.91 FAAH (0.64) FAAHP2RX3SCN10ACNR1NTRK1
SCHEMBL9959645 0.90 FAAH (0.74) FAAHP2RX3SCN10ACNR1PLA2G4A
SCHEMBL9959484 0.90 FAAH (0.80) FAAHP2RX3SCN10ACNR1CYP1A2
SCHEMBL9952984 0.90 FAAH (0.60) FAAHSCN10ANPC1RAB9ASMN1; SMN2
SCHEMBL9959493 0.90 FAAH (0.81) FAAHP2RX3SCN10ACNR1PLA2G4A
SCHEMBL9959081 0.89 FAAH (0.65) FAAHP2RX3SCN10ACNR1PLA2G4A
SCHEMBL9958758 0.88 FAAH (0.71) FAAHP2RX3NPC1CYP1A2CYP3A4

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 1/4885P2RX3 508/4885SCN10A 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.