SCHEMBL3764625

SCHEMBL3764625

O=C(Nc1noc2ccccc12)N1CCN(C(=O)c2ccco2)CC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FAAH O00519 7/20 0.56
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C19 P33261 1/20 0.53
ALDH1A1 P00352 4/20 0.53
KDM4E B2RXH2 1/20 0.53
EPHX2 P34913 1/20 0.52
POLB P06746 2/20 0.51
MAPT P10636 2/20 0.50
SHMT2 P34897 1/20 0.50
KMT2A Q03164 1/20 0.50
NAMPT P43490 1/20 0.50
TP53 P04637 1/20 0.49
TSHR P16473 1/20 0.49
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL3761183 0.83 FAAH (0.66) FAAHEPHX2MAPTNAMPTTP53
SCHEMBL3766399 0.82 FAAH (0.67) FAAHEPHX2MAPTTP53
SCHEMBL3765745 0.81 FAAH (0.61) FAAHKDM4EEPHX2POLBTP53
SCHEMBL3772543 0.80 L3MBTL1 (0.57) FAAHEPHX2NAMPTTP53
SCHEMBL3769604 0.79 FAAH (0.58) FAAHALDH1A1EPHX2POLBTSHR
SCHEMBL3640628 0.78 FAAH (0.59) FAAHEPHX2POLBMAPTTP53
SCHEMBL3772085 0.78 FAAH (0.57) FAAHEPHX2KMT2ANPSR1
SCHEMBL13803782 0.76 CYP1A2 (0.83) CYP1A2CYP3A4CYP2C19ALDH1A1KDM4E
SCHEMBL3645820 0.75 FAAH (0.70) FAAH
SCHEMBL3641179 0.75 FAAH (0.56) FAAHEPHX2MAPTKMT2ANAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7851473-B2 Amide compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-14 US disclosed
US-20080312226-A1 Amide Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-18 US disclosed
EP-1813606-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-08-01 EP 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-20080312226-A1 Amide Compound FAAH, FAAH2, CNR2 FAAH 1/4885CYP1A2 182/4885CYP3A4 768/4885

“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.