SCHEMBL16201664

SCHEMBL16201664

CC(C)c1c2n(c3ccccc13)C(=O)N(C)CC2

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PER2 O15055 3/20 0.37
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 2/20 0.35
POLB P06746 1/20 0.33
KCNH2 Q12809 2/20 0.33
MAOA P21397 4/20 0.33
MAOB P27338 4/20 0.33
CYP3A4 P08684 2/20 0.32
ADRA2C P18825 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
ADRA1A P35348 1/20 0.32
HTR2B P41595 1/20 0.32
HTR3A P46098 1/20 0.32
HTR6 P50406 1/20 0.32

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
SCHEMBL16201636 0.79 PDE4A (0.36)
SCHEMBL7376810 0.75 BRD4 (0.40) PER2POLBHTR2AHTR2C
SCHEMBL16201671 0.72 PRKCB (0.34) CYP1A2CYP2D6
SCHEMBL19930209 0.71 HTR2A (0.35) PER2CYP1A2CYP2D6HTR2AHTR2C
SCHEMBL12563374 0.71 HTR2C (0.42) HTR2AHTR2C
SCHEMBL16201666 0.71 CYP1A2 (0.43) CYP1A2CYP2D6POLBKCNH2MAOA
SCHEMBL12563372 0.70 HTR2A (0.41) POLBHTR2AHTR2CHTR6
SCHEMBL16201627 0.70 CHRNA7 (0.37) CYP1A2CYP2D6HTR3A
SCHEMBL16201631 0.69 MTNR1A (0.45) CYP1A2CYP2D6POLBKCNH2MAOA
SCHEMBL16201625 0.69 LMNA (0.31)

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 PER2 4585/4885CYP1A2 3067/4885CYP2D6 4247/4885

“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.