SCHEMBL17828654

SCHEMBL17828654

CN(C(=O)n1cnc(-c2cccc(OS(N)(=O)=O)c2)c1)C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.45
CES2 O00748 1/20 0.45
DRD2 P14416 3/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
WNK1 Q9H4A3 1/20 0.43
CCR4 P51679 2/20 0.42
SIGMAR1 Q99720 3/20 0.42
HTR2A P28223 2/20 0.42
HTR2C P28335 2/20 0.42
HTR2B P41595 2/20 0.42
OPRK1 P41145 1/20 0.41
CHRM4 P08173 1/20 0.41
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
KCNH2 Q12809 1/20 0.40
OPRM1 P35372 2/20 0.40
CHRM2 P08172 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 SCHEMBL17819165 0.99 FAAH (0.45) FAAHCES2DRD2DRD4DRD3
SCHEMBL16439374 0.93 FAAH (0.44) FAAHCES2DRD2DRD4DRD3
Hydrochloric Acid SCHEMBL17819161 0.92 FAAH (0.43) FAAHCES2DRD2DRD4DRD3
SCHEMBL16439369 0.91 FAAH (0.44) FAAHCES2DRD2DRD4DRD3
Hydrochloric Acid SCHEMBL17819166 0.91 FAAH (0.43) FAAHCES2DRD2DRD4DRD3
SCHEMBL428100 0.89 WNK1 (0.53) FAAHCES2DRD2DRD4DRD3
SCHEMBL14937606 0.88 KDM4E (0.51) FAAHCES2DRD2DRD4DRD3
SCHEMBL16433041 0.88 MCHR1 (0.47) FAAHCES2KDM4E
SCHEMBL16433259 0.87 FAAH (0.47) FAAHCES2CA12CA1CA2
SCHEMBL16433299 0.87 FAAH (0.42) FAAHCES2DRD4WNK1MEN1

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 2 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

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 33/4885DRD2 1239/4885

“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.