SCHEMBL3588831

SCHEMBL3588831

COC[C@@H]1CCCN1C1Cc2cccc([NH])c2NC1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.35
DRD3 P35462 1/20 0.35
KCNH2 Q12809 1/20 0.35
CASP3 P42574 3/20 0.35
CASP7 P55210 3/20 0.35
CASP9 P55211 1/20 0.35
VEGFA P15692 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
ALOX15 P16050 2/20 0.33
CHRNB4 P30926 2/20 0.33
CHRNA3 P32297 2/20 0.33
HSD17B10 Q99714 1/20 0.33
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 2/20 0.32
GAA P10253 2/20 0.32
MAPT P10636 2/20 0.32
TSHR P16473 1/20 0.32
ROCK2 O75116 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
SCHEMBL3588832 0.87 DRD2 (0.37) DRD2DRD3KCNH2CASP3CASP7
SCHEMBL3589646 0.86 KDM4E (0.34) DRD2ALOX15HSD17B10ALDH1A1KDM4E
SCHEMBL3589706 0.84 ALDH1A1 (0.40) DRD2DRD3KCNH2CASP3CASP7
SCHEMBL3597252 0.79 CASP3 (0.41) DRD2DRD3KCNH2CASP3CASP7
SCHEMBL3599094 0.79 CASP3 (0.39) DRD2DRD3KCNH2CASP3CASP7
SCHEMBL3599654 0.77 DRD2 (0.35) DRD2ALOX15HSD17B10ALDH1A1KDM4E
SCHEMBL3597258 0.74 CASP3 (0.41) DRD2DRD3KCNH2CASP3CASP7
SCHEMBL3589709 0.74 ALDH1A1 (0.39) DRD2DRD3KCNH2CASP3CASP7
SCHEMBL3599096 0.74 CASP3 (0.39) DRD2DRD3KCNH2CASP3CASP7
SCHEMBL13545285 0.73 HSD17B10 (0.38) CASP3CASP7CASP9ALOX15HSD17B10

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 530/4885DRD3 112/4885KCNH2 416/4885

“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.