SCHEMBL896444

SCHEMBL896444

CC(C)(C)OC(=O)N1CCC2(CCN(C(=O)Nc3cccnc3)C2)CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.52
CYP11B2 P19099 1/20 0.52
CYP3A4 P08684 5/20 0.51
CYP1A2 P05177 5/20 0.51
ALDH1A1 P00352 2/20 0.51
TSHR P16473 2/20 0.51
GPR119 Q8TDV5 1/20 0.51
KEAP1 Q14145 1/20 0.50
NFE2L2 Q16236 1/20 0.50
USP2 O75604 1/20 0.50
CYP2D6 P10635 1/20 0.50
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
CYP2C19 P33261 1/20 0.49
JAK2 O60674 1/20 0.49
JAK1 P23458 1/20 0.49
NAMPT P43490 2/20 0.48

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
SCHEMBL3761652 0.88 TRPV1 (0.58) FAAHGPR119KEAP1NFE2L2NAMPT
SCHEMBL31058146 0.83 GPR119 (0.53) GPR119KEAP1NFE2L2HDAC1JAK2
SCHEMBL24442665 0.81 KEAP1 (0.52) GPR119KEAP1NFE2L2USP2HDAC1
Hydrochloric Acid SCHEMBL896546 0.80 CYP3A4 (0.62) FAAHCYP3A4CYP1A2ALDH1A1TSHR
SCHEMBL30522720 0.79 NAMPT (0.56) GPR119KEAP1NFE2L2JAK2JAK1
SCHEMBL24433501 0.79 NAMPT (0.56) GPR119KEAP1NFE2L2JAK2JAK1
SCHEMBL484816 0.79 GPR119 (0.65) CYP11B2CYP3A4GPR119CYP2D6CYP2C19
SCHEMBL22941336 0.79 GPR119 (0.65) CYP11B2CYP3A4CYP1A2ALDH1A1TSHR
SCHEMBL14934442 0.78 MAPT (0.72) CYP3A4CYP1A2ALDH1A1TSHRUSP2
SCHEMBL13188215 0.78 PTPN2 (0.67) GPR119KEAP1NFE2L2

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-20120083476-A1 HETEROARYL-SUBSTITUTED SPIROCYCLIC DIAMINE UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2012-04-05 US disclosed
WO-2010141817-A1 HETEROARYL-SUBSTITUTED SPIROCYCLIC DIAMINE UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2010-12-09 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-20120083476-A1 HETEROARYL-SUBSTITUTED SPIROCYCLIC DIAMINE UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, DBH FAAH 1/4885CYP11B2 3570/4885CYP3A4 2158/4885

“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.