SCHEMBL5287747

SCHEMBL5287747

CC(C)(C)[Si](C)(C)OCCN(CCc1cc2ccccc2[nH]1)C(=O)N1CCC(CCNC(=O)COCc2ccc(F)cc2)CC1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
AKR1C3 P42330 4/20 0.35
CHRM4 P08173 2/20 0.33
KMT2A Q03164 1/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
CCR5 P51681 1/20 0.32
TPSAB1 Q15661 1/20 0.32
TPSD1 Q9BZJ3 1/20 0.32
TPSG1 Q9NRR2 1/20 0.32
YAP1 P46937 1/20 0.32

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
SCHEMBL5275809 0.89 AKR1C3 (0.39) SLC6A4SLC6A3AKR1C3CHRM4KMT2A
SCHEMBL8260937 0.75 BCHE (0.48)
SCHEMBL5285824 0.72 CHRM2 (0.35) SLC6A4SLC6A3AKR1C3CHRM4MTNR1A
SCHEMBL6037910 0.70 CTSS (0.51)
SCHEMBL5284999 0.69 CTSS (0.49) CHRM4
SCHEMBL5410184 0.68 BCHE (0.52) CHRM4KMT2A
SCHEMBL5291871 0.67 FAAH (0.51) CHRM4KMT2A
SCHEMBL5291489 0.67 BCHE (0.52) KMT2A
SCHEMBL5282166 0.67 ACHE (0.53) CHRM4KMT2A
SCHEMBL5289480 0.66 BCHE (0.56) CHRM4KMT2A

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
EP-1863804-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2007-12-12 EP disclosed
US-20060264415-A1 Inhibitors of histone deacetylase METHYLGENE INC. 2006-11-23 US disclosed
WO-2006102760-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2006-10-05 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-20060264415-A1 Inhibitors of histone deacetylase HDAC1, HDAC3, HDAC11 SLC6A4 4364/4885SLC6A3 4067/4885AKR1C3 2200/4885

“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.