SCHEMBL3589696

SCHEMBL3589696

CN(C1CCCCC1)C1Cc2ccc([NH])cc2NC1=O

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 3/20 0.33
CRBN Q96SW2 3/20 0.33
PDE3B Q13370 5/20 0.32
PDE3A Q14432 5/20 0.32
PARP1 P09874 2/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.31
CHEK1 O14757 1/20 0.31
MAP2K1 Q02750 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL3597784 0.90 PDE3B (0.36) DDB1CRBNPDE3BPDE3APARP1
SCHEMBL3589697 0.85 CA9 (0.40) DDB1CRBNPDE3BPDE3APARP1
SCHEMBL13382926 0.83 S1PR1 (0.35) DDB1CRBNPDE3BPDE3APARP1
SCHEMBL3595894 0.83 TRPV1 (0.30) DDB1CRBN
SCHEMBL3597785 0.78 PDE3B (0.36) DDB1CRBNPDE3BPDE3APARP1
SCHEMBL3601204 0.76 MAOA (0.33) GAAMAPTMEN1KMT2A
SCHEMBL3588363 0.76 TRPV1 (0.36) DDB1CRBNPARP1CHEK1MAP2K1
SCHEMBL3584555 0.76 DDB1 (0.36) DDB1CRBNPARP1GAAMAPT
SCHEMBL3602380 0.75 TRPV1 (0.45) DDB1CRBN
SCHEMBL3597334 0.75 DDB1 (0.35) DDB1CRBNGAAMEN1KMT2A

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-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-01-21 US disclosed
EP-2128157-A1 HETEROCYCLIDENE-N-(ARYL)ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2009-12-02 EP 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-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE CCNY, CCND3, NSD3 DDB1 1855/4885CRBN 762/4885PDE3B 3066/4885

“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.