SCHEMBL3587498

SCHEMBL3587498

CN1CCN(C2Cc3c(N)cccc3NC2=O)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
RAB9A P51151 1/20 0.39
GAA P10253 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
ADRA2C P18825 1/20 0.38
CRBN Q96SW2 3/20 0.38
TNF P01375 2/20 0.38
IL1B P01584 2/20 0.38
IKZF1 Q13422 2/20 0.38
DDB1 Q16531 2/20 0.38
IKZF3 Q9UKT9 2/20 0.38
BRD4 O60885 1/20 0.38
HRH4 Q9H3N8 2/20 0.36
LMNA P02545 2/20 0.34
HTT P42858 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL3606102 0.88 ALDH1A1 (0.43) DRD2DRD4RAB9AGAAALDH1A1
SCHEMBL3605689 0.86 ALDH1A1 (0.43) DRD2DRD4RAB9AGAAALDH1A1
SCHEMBL3594551 0.86 ALDH1A1 (0.37) DRD2DRD4RAB9AGAAALDH1A1
SCHEMBL3587495 0.85 DRD2 (0.44) DRD2DRD4RAB9AGAAALDH1A1
SCHEMBL3589421 0.85 ALDH1A1 (0.39) DRD2DRD4RAB9AGAAALDH1A1
SCHEMBL3596741 0.85 CRBN (0.41) DRD2DRD4RAB9AGAAALDH1A1
SCHEMBL3587351 0.84 ALDH1A1 (0.39) DRD2DRD4RAB9AGAAALDH1A1
SCHEMBL3590903 0.84 ALDH1A1 (0.44) DRD2DRD4RAB9AGAAALDH1A1
SCHEMBL3592826 0.83 ALDH1A1 (0.40) DRD2DRD4RAB9AGAAALDH1A1
SCHEMBL3593131 0.83 KDM4E (0.38) DRD2DRD4RAB9AGAAALDH1A1

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 795/4885RAB9A 2599/4885

“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.