SCHEMBL8418699

SCHEMBL8418699

CC(O)Nc1nc(C(C)C)cs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR4 P51679 1/20 0.46
▸ CYP2D6 P10635 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ GRM1 Q13255 1/20 0.43
▸ CSNK2A2 P19784 1/20 0.39
▸ CSNK2B P67870 1/20 0.39
▸ CSNK2A1 P68400 1/20 0.39
▸ CSNK2A3 Q8NEV1 1/20 0.39
▸ FDPS P14324 1/20 0.38
▸ TYR P14679 1/20 0.36
▸ GCK P35557 6/20 0.34
▸ TAAR1 Q96RJ0 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CRHBP P24387 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ CRHR2 Q13324 1/20 0.33
▸ GAA P10253 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.31

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
SCHEMBL12349926 0.84 CCR4 (0.49) CCR4CYP2D6CYP1A2CYP2C9GRM1
SCHEMBL22838132 0.80 CCR4 (0.49) CCR4CYP2D6CYP1A2CYP2C9GRM1
SCHEMBL5462531 0.79 CCR4 (0.60) CCR4CYP2D6CYP1A2CYP2C9GRM1
SCHEMBL13351522 0.78 FDPS (0.59) FDPSGAAALDH1A1MAPTNPC1
SCHEMBL12894443 0.78 CCR4 (0.44) CCR4CYP2D6CYP1A2CYP2C9GRM1
SCHEMBL11994346 0.78 CCR4 (0.50) CCR4CYP2D6CYP1A2CYP2C9GRM1
SCHEMBL18884354 0.76 CCR4 (0.49) CCR4CYP2D6CYP1A2CYP2C9GRM1
SCHEMBL12869755 0.74 CCR4 (0.47) CCR4CYP2D6CYP1A2CYP2C9GRM1
SCHEMBL12190585 0.74 L3MBTL1 (0.57) CYP2D6CYP1A2CYP2C9GRM1CSNK2A2
SCHEMBL12894440 0.73 CCR4 (0.46) CCR4CYP2D6CYP1A2CYP2C9GRM1

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-20070142369-A1 Combination of an H3 antagonist/inverse agonist and an appetite suppressant SCHERING CORPORATION 2007-06-21 — — 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-20070142369-A1 Combination of an H3 antagonist/inverse agonist and an appetite suppressant CNR2, GPR119, GLP1R CCR4 1952/4885CYP2D6 1688/4885CYP1A2 1023/4885

“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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