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.

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