SCHEMBL16439374

SCHEMBL16439374

COc1cccc(CN2CCC(N(C)C(=O)n3cnc(-c4cccc(OS(N)(=O)=O)c4)c3)CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.44
CES2 O00748 1/20 0.44
WNK1 Q9H4A3 2/20 0.43
KDM4E B2RXH2 5/20 0.43
ALDH1A1 P00352 4/20 0.43
MAPT P10636 2/20 0.43
DRD4 P21917 2/20 0.42
DRD2 P14416 1/20 0.42
DRD3 P35462 1/20 0.42
MCHR1 Q99705 2/20 0.42
CCR5 P51681 1/20 0.41
JAK1 P23458 1/20 0.41
CHRM4 P08173 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
RECQL P46063 1/20 0.40
KMT2A Q03164 1/20 0.40
SIGMAR1 Q99720 1/20 0.40

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 SCHEMBL17819161 0.99 FAAH (0.43) FAAHCES2WNK1KDM4EALDH1A1
SCHEMBL16439369 0.95 FAAH (0.44) FAAHCES2WNK1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL17819166 0.95 FAAH (0.43) FAAHCES2WNK1KDM4EALDH1A1
SCHEMBL16433132 0.94 KDM4E (0.44) FAAHCES2KDM4EALDH1A1MAPT
Hydrochloric Acid SCHEMBL17819170 0.94 KDM4E (0.43) FAAHCES2KDM4EALDH1A1MAPT
SCHEMBL17828654 0.93 FAAH (0.45) FAAHCES2WNK1KDM4EDRD4
Hydrochloric Acid SCHEMBL17819165 0.92 FAAH (0.45) FAAHCES2WNK1DRD4DRD2
SCHEMBL16433299 0.90 FAAH (0.42) FAAHCES2WNK1DRD4MCHR1
SCHEMBL16439290 0.90 OPRM1 (0.46) FAAHCES2WNK1KDM4EALDH1A1
SCHEMBL16432973 0.89 FAAH (0.42) FAAHCES2WNK1KDM4EALDH1A1

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 3 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
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.