SCHEMBL3594463

SCHEMBL3594463

Nc1ccc2c(c1)CC(N1CCCC1)C(=O)N2

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
TSHR P16473 1/20 0.43
CRBN Q96SW2 3/20 0.40
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
MEN1 O00255 2/20 0.37
DDB1 Q16531 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
PARP1 P09874 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HPGD P15428 1/20 0.36
CA9 Q16790 1/20 0.36
RAB9A P51151 1/20 0.35

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
SCHEMBL3580791 0.99 TSHR (0.46) DRD2DRD4TSHRCRBNKMT2A
SCHEMBL3596528 0.89 DRD2 (0.46) DRD2DRD4CRBNKMT2AALDH1A1
SCHEMBL3602300 0.89 DRD2 (0.44) DRD2DRD4TSHRCRBNKMT2A
SCHEMBL4457515 0.89 DRD2 (0.44) DRD2DRD4CRBNKMT2AALDH1A1
SCHEMBL3597005 0.89 CA9 (0.45) DRD2DRD4TSHRCRBNKMT2A
SCHEMBL3602000 0.88 DRD2 (0.43) DRD2DRD4TSHRCRBNKMT2A
SCHEMBL3606191 0.88 DRD2 (0.43) DRD2DRD4TSHRCRBNKMT2A
SCHEMBL3600796 0.87 TSHR (0.46) DRD2DRD4TSHRCRBNKMT2A
SCHEMBL3604336 0.87 DRD2 (0.42) DRD2DRD4CRBNKMT2AALDH1A1
SCHEMBL3595292 0.87 DRD2 (0.42) DRD2DRD4TSHRCRBNKMT2A

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 DRD2 530/4885DRD4 795/4885TSHR 1731/4885

“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.