SCHEMBL5281044

SCHEMBL5281044

O=C(COCc1ccc(F)cc1)NCCC1CCN(C(=O)OCc2cccnc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 12/20 0.53
CYP2D6 P10635 4/20 0.52
CYP2C9 P11712 4/20 0.52
CYP3A4 P08684 3/20 0.52
TPSAB1 Q15661 1/20 0.47
TPSD1 Q9BZJ3 1/20 0.47
TPSG1 Q9NRR2 1/20 0.47
ENPP2 Q13822 2/20 0.46
CHRM4 P08173 2/20 0.45
OPRK1 P41145 1/20 0.43
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42

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
SCHEMBL6038188 0.77 GAA (0.54)
SCHEMBL5281631 0.77 CHRM4 (0.67) CHRM4
SCHEMBL5291871 0.77 FAAH (0.51) CHRM4
SCHEMBL5279075 0.75 WNT3 (0.45) GRIN2BTPSAB1TPSD1TPSG1CHRM4
SCHEMBL5291489 0.75 BCHE (0.52)
SCHEMBL5280999 0.75 POLB (0.50) TPSAB1TPSD1TPSG1CHRM4
SCHEMBL5281643 0.75 GPR119 (0.49)
SCHEMBL5283344 0.74 HDAC3 (0.53) CHRM4
SCHEMBL25676009 0.74 GRIN2B (0.63) GRIN2BCYP2D6CYP2C9CYP3A4OPRK1
SCHEMBL5286235 0.73 HDAC1 (0.53) CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1863804-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2007-12-12 EP claimed
US-20060264415-A1 Inhibitors of histone deacetylase METHYLGENE INC. 2006-11-23 US claimed
WO-2006102760-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2006-10-05 WO claimed
US-20060264415-A1 Inhibitors of histone deacetylase METHYLGENE INC. 2006-11-23 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-20060264415-A1 Inhibitors of histone deacetylase HDAC1, HDAC3, HDAC11 GRIN2B 2227/4885CYP2D6 3759/4885CYP2C9 4151/4885

“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.