SCHEMBL3597785

SCHEMBL3597785

CN(C1CCCCC1)C1Cc2cc(N)ccc2NC1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 7/20 0.36
PDE3A Q14432 7/20 0.36
CRBN Q96SW2 4/20 0.35
DDB1 Q16531 3/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
EPHX2 P34913 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
PKM P14618 1/20 0.33
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
PARP1 P09874 1/20 0.32
ABCC8 Q09428 1/20 0.32
KCNJ11 Q14654 1/20 0.32
CA9 Q16790 1/20 0.32
GAA P10253 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
SCHEMBL3589697 0.90 CA9 (0.40) PDE3BPDE3ACRBNDDB1PDE4A
SCHEMBL3597784 0.85 PDE3B (0.36) PDE3BPDE3ACRBNDDB1PDE4A
SCHEMBL3601169 0.83 CA9 (0.37) CRBNDDB1MAPTCA9GAA
SCHEMBL13545487 0.78 CA9 (0.39) CRBNDDB1MAPTCA9GAA
SCHEMBL3589696 0.78 DDB1 (0.33) PDE3BPDE3ACRBNDDB1MAPT
SCHEMBL3598578 0.76 RET (0.35) CRBNALDH1A1MAPTCA9GAA
SCHEMBL3600259 0.76 CA9 (0.33) CRBNDDB1MAPTPARP1CA9
SCHEMBL13382926 0.76 S1PR1 (0.35) PDE3BPDE3ACRBNDDB1S1PR1
SCHEMBL3584557 0.75 DDB1 (0.37) CRBNDDB1PDE4APDE4BPDE4C
SCHEMBL3605984 0.75 TRPV1 (0.39) CRBNDDB1CA9

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 PDE3B 3066/4885PDE3A 2554/4885CRBN 762/4885

“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.