SCHEMBL3588944

SCHEMBL3588944

CN1CCN(C2Cc3ccc(N)cc3NC2=O)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.44
DRD4 P21917 1/20 0.44
CA9 Q16790 2/20 0.43
GAA P10253 3/20 0.39
KDM4E B2RXH2 3/20 0.38
MAPT P10636 2/20 0.38
RAD52 P43351 1/20 0.38
CRBN Q96SW2 3/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 2/20 0.37
APEX1 P27695 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HTR1A P08908 1/20 0.37
HTR2A P28223 1/20 0.37
MEN1 O00255 1/20 0.37
TRPV1 Q8NER1 3/20 0.37
RAB9A P51151 1/20 0.36
CA12 O43570 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
SCHEMBL3596528 0.89 DRD2 (0.46) DRD2DRD4CA9GAAKDM4E
SCHEMBL3597005 0.89 CA9 (0.45) DRD2DRD4CA9GAAKDM4E
SCHEMBL3600796 0.88 TSHR (0.46) DRD2DRD4CA9GAAKDM4E
SCHEMBL3596538 0.87 CA9 (0.41) DRD2DRD4CA9GAAKDM4E
SCHEMBL3602346 0.86 CA9 (0.43) DRD2DRD4CA9GAAKDM4E
SCHEMBL3602310 0.86 CA9 (0.47) DRD2DRD4CA9GAAKDM4E
SCHEMBL3588009 0.85 CA9 (0.42) DRD2DRD4CA9GAAKDM4E
SCHEMBL3583049 0.85 TRPV1 (0.48) DRD2DRD4CA9GAAKDM4E
SCHEMBL3600127 0.84 CA9 (0.41) DRD2DRD4CA9GAAKDM4E
SCHEMBL3588943 0.84 DRD2 (0.44) DRD2DRD4GAAKDM4EMAPT

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 3 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
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 795/4885CA9 1531/4885

“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.