SCHEMBL3596528

SCHEMBL3596528

CN1CCN(C2Cc3cc(N)ccc3NC2=O)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.46
DRD4 P21917 1/20 0.46
GAA P10253 2/20 0.40
KDM4E B2RXH2 2/20 0.40
APEX1 P27695 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPT P10636 1/20 0.38
RAD52 P43351 1/20 0.38
CRBN Q96SW2 3/20 0.38
LMNA P02545 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
DDB1 Q16531 1/20 0.35
ADRA2C P18825 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
SCHEMBL3588944 0.89 DRD2 (0.44) DRD2DRD4GAAKDM4EAPEX1
SCHEMBL3594463 0.89 DRD2 (0.45) DRD2DRD4GAAKDM4EKMT2A
SCHEMBL3580791 0.88 TSHR (0.46) DRD2DRD4GAAKDM4EKMT2A
SCHEMBL3595292 0.87 DRD2 (0.42) DRD2DRD4GAAKDM4EAPEX1
SCHEMBL3602300 0.86 DRD2 (0.44) DRD2DRD4GAAKDM4EAPEX1
SCHEMBL4457515 0.86 DRD2 (0.44) DRD2DRD4GAAKDM4EKMT2A
SCHEMBL3602000 0.85 DRD2 (0.43) DRD2DRD4GAAKMT2AMAPT
SCHEMBL3606191 0.85 DRD2 (0.43) DRD2DRD4GAAKDM4EAPEX1
SCHEMBL3604336 0.84 DRD2 (0.42) DRD2DRD4GAAKDM4EAPEX1
SCHEMBL3596527 0.84 DRD2 (0.46) DRD2DRD4GAAKDM4EAPEX1

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 795/4885GAA 4641/4885

“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.