SCHEMBL16433299

SCHEMBL16433299

COc1cc(CN2CCC(N(C)C(=O)n3cnc(-c4cccc(OS(N)(=O)=O)c4)c3)CC2)ccc1F

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.42
CES2 O00748 1/20 0.42
WNK1 Q9H4A3 2/20 0.41
MCHR1 Q99705 4/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
DRD4 P21917 1/20 0.38
CCR3 P51677 2/20 0.38
ALPL P05186 1/20 0.37
ALPI P09923 1/20 0.37
ALPG P10696 1/20 0.37
RAB9A P51151 2/20 0.36
GALR3 O60755 1/20 0.36
AVPR1B P47901 1/20 0.36
NPC1 O15118 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
Hydrochloric Acid SCHEMBL16433135 0.99 FAAH (0.42) FAAHCES2WNK1MCHR1KMT2A
SCHEMBL16432831 0.93 FAAH (0.41) FAAHCES2MCHR1KMT2AMEN1
Oxalic Acid SCHEMBL16432848 0.91 FAAH (0.39) FAAHCES2MCHR1KMT2AMEN1
SCHEMBL16439374 0.90 FAAH (0.44) FAAHCES2WNK1MCHR1KMT2A
Hydrochloric Acid SCHEMBL17819161 0.89 FAAH (0.43) FAAHCES2WNK1MCHR1KMT2A
SCHEMBL16432244 0.89 FAAH (0.43) FAAHCES2WNK1MCHR1KMT2A
Hydrochloric Acid SCHEMBL16431981 0.88 FAAH (0.42) FAAHCES2WNK1MCHR1KMT2A
SCHEMBL16439369 0.88 FAAH (0.44) FAAHCES2WNK1MCHR1DRD4
Hydrochloric Acid SCHEMBL17819166 0.88 FAAH (0.43) FAAHCES2WNK1MCHR1DRD4
SCHEMBL16432991 0.87 FAAH (0.44) FAAHCES2WNK1MCHR1KMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160166560-A1 Urea Compounds and Their Use as FAAH Enzyme Inhibitors BIAL-PORTELA & CA, S.A. (PT) 2016-06-16 US disclosed
US-20160166560-A1 Urea Compounds and Their Use as FAAH Enzyme Inhibitors BIAL-PORTELA & CA, S.A. (PT) 2016-06-16 US disclosed
US-20160166560-A1 Urea Compounds and Their Use as FAAH Enzyme Inhibitors BIAL-PORTELA & CA, S.A. (PT) 2016-06-16 US disclosed
EP-3027610-A1 UREA COMPOUNDS AND THEIR USE AS FAAH ENZYME INHIBITORS BIAL - Portela & Cª S.A. (PT) 2016-06-08 EP disclosed
WO-2015016728-A1 UREA COMPOUNDS AND THEIR USE AS FAAH ENZYME INHIBITORS BIAL - PORTELA & Cª, S.A. (PT) 2015-02-05 WO disclosed
WO-2015016728-A1 UREA COMPOUNDS AND THEIR USE AS FAAH ENZYME INHIBITORS BIAL - PORTELA & Cª, S.A. (PT) 2015-02-05 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-20160166560-A1 Urea Compounds and Their Use as FAAH Enzyme Inhibitors FAAH, FAAH2, HRH2 FAAH 1/4885CES2 33/4885WNK1 1964/4885

“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.