SCHEMBL5282980

SCHEMBL5282980

O=C(COCc1ccc(F)cc1)NCCC1CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.42
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
F10 P00742 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
LMNA P02545 1/20 0.41
HTR1A P08908 2/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
RAB9A P51151 1/20 0.40
TPSAB1 Q15661 1/20 0.40
TPSD1 Q9BZJ3 1/20 0.40
TPSG1 Q9NRR2 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40

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
Hydrochloric Acid SCHEMBL5285785 0.99 CHRM4 (0.41) CHRM4ITGB3ITGA2BF10CHRM2
SCHEMBL5280502 0.93 RAB9A (0.44) ITGB3ITGA2BF10CHRM2CHRM1
SCHEMBL5287636 0.85 RAB9A (0.41) CHRM3LMNASLC6A2SLC6A4SLC6A3
SCHEMBL5281631 0.79 CHRM4 (0.67) CHRM4
SCHEMBL5280999 0.77 POLB (0.50) CHRM4TPSAB1TPSD1TPSG1
SCHEMBL5291871 0.77 FAAH (0.51) CHRM4HDAC1HDAC2
SCHEMBL5277951 0.77 GRIN2B (0.43) CHRM4TPSAB1TPSD1TPSG1HDAC1
Trifluoroacetic Acid SCHEMBL4324201 0.77 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3
SCHEMBL3358727 0.76 SLC6A2 (0.49) HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL5281557 0.76 LMNA (0.50) LMNARAB9A

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 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
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 CHRM4 3413/4885ITGB3 2934/4885ITGA2B 3000/4885

“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.