SCHEMBL2978995

SCHEMBL2978995

COC(=O)c1cnc(N2CCc3[nH]c4ccc(-c5cccc(CN6CCNCC6)c5)cc4c3C2)nc1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 15/20 0.50
ACHE P22303 1/20 0.42
AKR1B1 P15121 1/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
SIRT2 Q8IXJ6 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
SCHEMBL2979588 0.92 TLR8 (0.47) CHRM3ACHEAKR1B1HDAC1HDAC6
SCHEMBL2970778 0.91 BAZ2B (0.42) CHRM3ACHEAKR1B1HDAC1HDAC6
SCHEMBL2979124 0.90 HDAC6 (0.50) CHRM3AKR1B1HDAC1HDAC6
SCHEMBL2976043 0.90 MAP3K11 (0.42) CHRM3ACHEAKR1B1HDAC1HDAC6
SCHEMBL2978935 0.90 ACHE (0.40) CHRM3ACHEAKR1B1HDAC1HDAC6
SCHEMBL2978678 0.88 SIRT2 (0.43) ACHEAKR1B1HDAC1HDAC6SIRT2
SCHEMBL8259645 0.88 TBK1 (0.43)
SCHEMBL2978156 0.88 CHRM3 (0.42) CHRM3ACHEHDAC1HDAC6
SCHEMBL2980332 0.86 HDAC1 (0.47) ACHEAKR1B1HDAC1HDAC6
SCHEMBL5316177 0.85 AURKA (0.41) ACHESIRT2

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
US-7772245-B2 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS, INC. (US) 2010-08-10 US disclosed
EP-1851219-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF HISTONE DEACETYLASE Miikana Therapeutics, Inc. (US) 2007-11-07 EP disclosed
US-20060199829-A1 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS, INC. 2006-09-07 US disclosed
WO-2006088949-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF HISTONE DEACETYLASE MIIKANA THERAPEUTICS, INC. (US) 2006-08-24 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-20060199829-A1 Inhibitors of histone deacetylase HDAC1, HDAC2, HDAC11 CHRM3 4721/4885ACHE 4080/4885AKR1B1 1075/4885

“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.