SCHEMBL16201643

SCHEMBL16201643

CC(C)n1c2c(c3sccc31)CCN(C)C2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.35
DRD5 P21918 3/20 0.35
DRD3 P35462 3/20 0.35
DRD1 P21728 2/20 0.35
DRD4 P21917 2/20 0.35
CYP2D6 P10635 2/20 0.33
KDM4E B2RXH2 2/20 0.33
CYP1A2 P05177 1/20 0.33
MAOA P21397 6/20 0.32
MAOB P27338 6/20 0.32
ADRA2A P08913 3/20 0.31
ADRA2B P18089 3/20 0.31
ADRA2C P18825 3/20 0.31
ADRA1D P25100 2/20 0.31
ADRA1A P35348 2/20 0.31
ADRA1B P35368 2/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL16201669 0.73 KDM4E (0.32) KDM4EALDH1A1GAAMAPTHSD17B10
SCHEMBL16201670 0.72 PDE4B (0.31)
SCHEMBL23312221 0.71 ALDH1A1 (0.39) KDM4EALDH1A1HPGDALOX15
SCHEMBL16201668 0.70 CSNK2A2 (0.34)
SCHEMBL16201672 0.69 THRB (0.30)
SCHEMBL16201652 0.65
SCHEMBL16201639 0.64 DRD2 (0.31) DRD2DRD5DRD3DRD1DRD4
SCHEMBL15362179 0.64 CHRNA7 (0.55) DRD2DRD5DRD3DRD1DRD4
SCHEMBL16201635 0.60
SCHEMBL788875 0.59 DRD1 (0.66) DRD2DRD5DRD3DRD1DRD4

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-9345905-B2 Heterocyclic amides compounds which are HDAC6 inhibitors and used as anti-tumoral agents NANJING ALLGEN PHARMA CO. LTD. (CN) 2016-05-24 US disclosed
US-20140322229-A1 HETEROCYCLIC AMIDES COMPOUNDS WHICH ARE HDAC6 INHIBITORS AND USED AS ANTI-TUMORAL AGENTS BETA PHARMA CANADA INC. (CA) 2014-10-30 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-20140322229-A1 HETEROCYCLIC AMIDES COMPOUNDS WHICH ARE HDAC6 INHIBITORS AND USED AS ANTI-TUMORAL AGENTS HDAC6, HDAC1, HDAC7 DRD2 4775/4885DRD5 4399/4885DRD3 4756/4885

“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.