SCHEMBL4360123

SCHEMBL4360123

CC(C)(Cc1cccc(Br)n1)OC(=O)N1CCNCC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.38
▸ PARP1 P09874 3/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ HPGD P15428 1/20 0.34
▸ KDM1A O60341 2/20 0.34
▸ HTR1A P08908 1/20 0.34
▸ ALOX5 P09917 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.33
▸ HRH4 Q9H3N8 1/20 0.33
▸ AOC3 Q16853 1/20 0.33
▸ CSNK1A1 P48729 1/20 0.33
▸ GRM5 P41594 1/20 0.33

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
SCHEMBL4363957 0.83 P2RY12 (0.41) MAPK1SIGMAR1
SCHEMBL30254155 0.81 ALDH1A1 (0.45) MAPK1GRM5
SCHEMBL4369710 0.79 CXCR2 (0.37) FAAHPARP1KDM1AHTR1AHRH4
SCHEMBL4358423 0.78 FAAH (0.40) FAAHHRH4
SCHEMBL29155320 0.76 SIGMAR1 (0.45) MAPK1SIGMAR1
SCHEMBL16061780 0.74 FAAH (0.58) FAAHPARP1MAPK1KDM1A
SCHEMBL28808134 0.73 KDM4E (0.51) FAAHMAPK1
SCHEMBL30020659 0.73 NAMPT (0.46) —
SCHEMBL7383181 0.73 CYP3A4 (0.40) MAPK1HPGDSIGMAR1
SCHEMBL27973414 0.72 SMN1; SMN2 (0.41) PARP1HPGDALOX5SIGMAR1HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090163508-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-25 — — 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-20090163508-A1 AMIDE COMPOUND FAAH, FAAH2, NAAA FAAH 1/4885PARP1 3650/4885MAPK1 1901/4885

“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.

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