SCHEMBL16433293

SCHEMBL16433293

COc1cccc(-c2cn(C(=O)N(C)C3CCN(c4ccccc4)CC3)cn2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.48
CES2 O00748 1/20 0.48
NPY5R Q15761 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
MAPK1 P28482 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.45
HTT P42858 1/20 0.45
NEK2 P51955 1/20 0.45
CACNA2D1 P54289 1/20 0.43
MCHR1 Q99705 1/20 0.43
KIT P10721 1/20 0.43
TAF1 P21675 1/20 0.42
CECR2 Q9BXF3 1/20 0.42
BRD9 Q9H8M2 1/20 0.42
WNK1 Q9H4A3 1/20 0.42
LMNA P02545 2/20 0.41

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
SCHEMBL16430454 0.92 FAAH (0.48) FAAHCES2NPY5RCYP1A2CYP2C9
SCHEMBL16433259 0.88 FAAH (0.47) FAAHCES2NPY5RNEK2
SCHEMBL16441228 0.88 NPY5R (0.48) FAAHCES2NPY5RSMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL16433086 0.88 FAAH (0.47) FAAHCES2NPY5RNEK2
SCHEMBL16439276 0.87 FAAH (0.51) FAAHCES2NPY5RALDH1A1MAPT
SCHEMBL427155 0.87 FAAH (0.62) FAAHCES2MAPK1SMN1; SMN2ALDH1A1
SCHEMBL16432912 0.87 FAAH (0.47) FAAHCES2NPY5RMAPTNEK2
Bromide SCHEMBL16430745 0.87 NPY5R (0.47) FAAHCES2NPY5RSMN1; SMN2ALDH1A1
Bromide SCHEMBL16432318 0.87 FAAH (0.50) FAAHCES2NPY5RALDH1A1MAPT
SCHEMBL428100 0.86 WNK1 (0.53) FAAHCES2ALDH1A1MAPTMCHR1

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 7 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
CN-105593226-A Urea compounds and their use as FAAH enzyme inhibitors BIAL-PORTELA & CA S A 2016-05-18 CN 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 33/4885NPY5R 839/4885

“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.