SCHEMBL9960923

SCHEMBL9960923

COc1cc(NC(=O)C(=O)c2c(C)n(Cc3ccc(Cl)cc3)c3ncc(C)cc23)ccn1

nearest known ligand 0.78

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.78
P2RX3 P56373 5/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.40
CNR1 P21554 1/20 0.40
MAPT P10636 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.39
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL9959066 0.94 FAAH (0.72) FAAHP2RX3PTGDR2CNR1MAPT
SCHEMBL10234734 0.91 FAAH (0.64) FAAHP2RX3PTGDR2CNR1SCN10A
SCHEMBL10237265 0.90 FAAH (0.74) FAAHPTGDR2
SCHEMBL29392296 0.88 FAAH (1.00) FAAHP2RX3MAPTLMNAMEN1
SCHEMBL2168486 0.88 FAAH (1.00) FAAHP2RX3MAPTLMNAMEN1
SCHEMBL18877351 0.86 FAAH (0.85) FAAHP2RX3CNR1MAPTSCN10A
SCHEMBL18877353 0.86 FAAH (0.88) FAAHP2RX3PTGDR2CNR1MAPT
SCHEMBL2169687 0.86 FAAH (0.91) FAAHP2RX3MAPTLMNAMEN1
SCHEMBL9960003 0.86 FAAH (0.59) FAAHP2RX3PTGDR2CNR1SCN10A
SCHEMBL9958860 0.86 FAAH (0.81) FAAHP2RX3CNR1MAPTLMNA

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 1/4885P2RX3 508/4885PTGDR2 228/4885

“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.