SCHEMBL3595501

SCHEMBL3595501

COC1CCN(C2Cc3ccc([NH])cc3NC2=O)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
IKZF2 Q9UKS7 1/20 0.37
TRPV1 Q8NER1 4/20 0.36
ALOX15 P16050 2/20 0.35
HSD17B10 Q99714 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
APEX1 P27695 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 4/20 0.33
GAA P10253 3/20 0.33
KDM4E B2RXH2 3/20 0.33
MAPT P10636 3/20 0.33
ROCK2 O75116 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
BACE1 P56817 1/20 0.32
CHEK1 O14757 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
SCHEMBL3591371 0.91 DRD2 (0.40) DRD2DRD4IKZF2ALOX15HSD17B10
SCHEMBL3595503 0.86 CA9 (0.39) DRD2DRD4IKZF2TRPV1ALOX15
SCHEMBL3600124 0.84 KMT2A (0.40) DRD2DRD4TRPV1ALOX15HSD17B10
SCHEMBL13545293 0.84 TRPV1 (0.42) DRD2DRD4IKZF2TRPV1ALOX15
SCHEMBL3588943 0.84 DRD2 (0.44) DRD2DRD4TRPV1MEN1KMT2A
SCHEMBL3601332 0.82 TSHR (0.46) DRD2DRD4TRPV1MEN1KMT2A
SCHEMBL3602345 0.81 DRD2 (0.41) DRD2DRD4TRPV1MEN1KMT2A
SCHEMBL3602308 0.81 DRD2 (0.41) DRD2DRD4TRPV1MEN1KMT2A
SCHEMBL3596748 0.81 TRPV1 (0.37) DRD2DRD4TRPV1MEN1KMT2A
SCHEMBL3588007 0.80 DRD2 (0.40) DRD2DRD4TRPV1MEN1KMT2A

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 795/4885IKZF2 2049/4885

“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.