SCHEMBL17828652

SCHEMBL17828652

CN(C(=O)n1cnc(-c2cccc([N+](=O)[O-])c2)c1)C1CCN(C(=O)O)CC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.51
CES2 O00748 1/20 0.51
CCR5 P51681 1/20 0.42
ALDH1A1 P00352 6/20 0.39
VCP P55072 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
SSTR1 P30872 1/20 0.39
SSTR2 P30874 1/20 0.39
SSTR3 P32745 1/20 0.39
SSTR5 P35346 1/20 0.39
KEAP1 Q14145 3/20 0.39
NFE2L2 Q16236 3/20 0.39
MAPT P10636 4/20 0.39
PDE4D Q08499 1/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
GPR119 Q8TDV5 1/20 0.37

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
SCHEMBL14938107 0.89 FAAH (0.63) FAAHCES2CCR5ALDH1A1VCP
SCHEMBL424641 0.88 FAAH (0.64) FAAHCES2CCR5ALDH1A1VCP
SCHEMBL426168 0.88 FAAH (0.50) FAAHCES2CCR5ALDH1A1VCP
SCHEMBL14938296 0.88 GPR119 (0.51) FAAHCES2ALDH1A1MAPTLMNA
SCHEMBL14937893 0.87 FAAH (0.52) FAAHCES2CCR5KEAP1NFE2L2
SCHEMBL12473853 0.87 FAAH (0.58) FAAHCES2ALDH1A1LMNAGPR119
SCHEMBL14937854 0.87 SIGMAR1 (0.49) FAAHCES2CCR5ALDH1A1SMN1; SMN2
SCHEMBL14937765 0.87 FAAH (0.52) FAAHCES2CCR5ALDH1A1VCP
SCHEMBL16439264 0.87 FAAH (0.52) FAAHCES2ALDH1A1VCPSMN1; SMN2
SCHEMBL427893 0.86 FAAH (0.49) FAAHCES2CCR5ALDH1A1VCP

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 33/4885CCR5 4069/4885

“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.