SCHEMBL2391354

SCHEMBL2391354

CC(C)(C)OC(=O)N1CCCC(Cc2ccc3c(c2)OC(F)(F)O3)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.44
GLS O94925 2/20 0.43
KDM1A O60341 1/20 0.42
FEN1 P39748 1/20 0.42
SCN9A Q15858 1/20 0.42
BACE1 P56817 2/20 0.42
CTSD P07339 1/20 0.42
ITGB1 P05556 1/20 0.41
ITGA4 P13612 1/20 0.41
KAT7 O95251 1/20 0.41
KAT8 Q9H7Z6 1/20 0.41
CYP2C9 P11712 1/20 0.41
USP30 Q70CQ3 1/20 0.40
NR1D1 P20393 1/20 0.40
CYP2D6 P10635 2/20 0.40
CCR3 P51677 2/20 0.40
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL1277056 0.94 NR1D1 (0.45) USP30NR1D1
SCHEMBL3645227 0.88 GPR119 (0.45)
SCHEMBL1277123 0.84 NR1D1 (0.44) NR1D1
SCHEMBL22945216 0.82 PDE4B (0.49) SCN9AUSP30MEN1ALDH1A1MAPT
SCHEMBL21358915 0.80 CCR3 (0.51) ACKR3SCN9AKAT7KAT8CYP2D6
SCHEMBL4149104 0.80 CCR3 (0.51) ACKR3SCN9AKAT7KAT8CYP2D6
SCHEMBL29347992 0.79 GPR119 (0.53) ACKR3GLSKDM1AFEN1BACE1
SCHEMBL4190675 0.78 BACE1 (0.44) ACKR3GLSKDM1AFEN1SCN9A
SCHEMBL22036273 0.78 MEN1 (0.53) ACKR3GLSKDM1AFEN1BACE1
SCHEMBL5582903 0.78 BACE1 (0.50) ACKR3GLSKDM1AFEN1SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140221322-A1 HETEROARYL SUBSTITUTED UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2014-08-07 US disclosed
US-20140066412-A1 HETEROARYL SUBSTITUTED UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2014-03-06 US disclosed
US-8598356-B2 Heteroaryl-substituted urea modulators of fatty acid amide hydrolase JANSSEN PHARMACEUTICA NV (BE) 2013-12-03 US disclosed
US-20110230490-A1 HETEROARYL-SUBSTITUTED UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2011-09-22 US disclosed
WO-2010068452-A1 HETEROARYL-SUBSTITUTED UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2010-06-17 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 (3 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-20110230490-A1 HETEROARYL-SUBSTITUTED UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, GPR119 ACKR3 927/4885GLS 440/4885KDM1A 1798/4885
US-20140221322-A1 HETEROARYL SUBSTITUTED UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, GPR119 ACKR3 848/4885GLS 459/4885KDM1A 1877/4885
US-20140066412-A1 HETEROARYL SUBSTITUTED UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, GPR119 ACKR3 848/4885GLS 459/4885KDM1A 1877/4885

“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.