SCHEMBL2980943

SCHEMBL2980943

O=C(NOC1CCCCO1)c1cnc(N2CCc3c(n(CCN4CCOCC4)c4ccccc34)C2)nc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.37
P2RX3 P56373 1/20 0.37
HTR2A P28223 2/20 0.37
DRD3 P35462 2/20 0.37
CNR1 P21554 8/20 0.37
HDAC1 Q13547 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
DRD2 P14416 1/20 0.36

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
SCHEMBL2971949 0.97 P2RX3 (0.38) CNR2P2RX3CNR1HDAC1HDAC6
SCHEMBL2977910 0.89 HDAC6 (0.47) HDAC1HDAC6HDAC3HDAC2HDAC10
SCHEMBL2981505 0.85 CREBBP (0.37) CNR2P2RX3CNR1HDAC1HDAC6
SCHEMBL2975842 0.85 HDAC6 (0.50) HDAC1HDAC6HDAC3HDAC2HDAC10
SCHEMBL2968792 0.82 POLB (0.48) CNR1
SCHEMBL2972874 0.81 HDAC6 (0.52) HDAC1HDAC6HDAC3HDAC2HDAC10
SCHEMBL2980297 0.80 HDAC6 (0.51) HDAC1HDAC6HDAC3HDAC2HDAC10
SCHEMBL2972921 0.79 HDAC6 (0.42) P2RX3HDAC1HDAC6
SCHEMBL2979418 0.78 KDM4E (0.43) HDAC1HDAC6HDAC3HDAC2HDAC10
SCHEMBL2979875 0.74 HDAC6 (0.53) HDAC1HDAC6HDAC3HDAC2HDAC10

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 2 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
US-20060199829-A1 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS, INC. 2006-09-07 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-20060199829-A1 Inhibitors of histone deacetylase HDAC1, HDAC2, HDAC11 CNR2 3527/4885P2RX3 4817/4885HTR2A 1672/4885

“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.