SCHEMBL3588943

SCHEMBL3588943

CN1CCN(C2Cc3ccc([NH])cc3NC2=O)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.44
DRD4 P21917 3/20 0.44
GAA P10253 2/20 0.39
ALDH1A1 P00352 3/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
TRPV1 Q8NER1 4/20 0.37
RAB9A P51151 2/20 0.36
PARP1 P09874 2/20 0.34
CHEK1 O14757 1/20 0.34
MAP2K1 Q02750 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HRH1 P35367 3/20 0.33
TSHR P16473 2/20 0.33
HTR2C P28335 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL3596527 0.89 DRD2 (0.46) DRD2DRD4GAAALDH1A1LMNA
SCHEMBL3601332 0.88 TSHR (0.46) DRD2DRD4GAAALDH1A1LMNA
SCHEMBL3596536 0.87 DRD2 (0.40) DRD2DRD4GAAALDH1A1LMNA
SCHEMBL3602345 0.86 DRD2 (0.41) DRD2DRD4GAAALDH1A1LMNA
SCHEMBL3602308 0.86 DRD2 (0.41) DRD2DRD4GAAALDH1A1LMNA
SCHEMBL3584531 0.85 TRPV1 (0.48) DRD2DRD4GAAALDH1A1LMNA
SCHEMBL3588007 0.85 DRD2 (0.40) DRD2DRD4GAAALDH1A1LMNA
SCHEMBL3600124 0.84 KMT2A (0.40) DRD2DRD4GAAALDH1A1LMNA
SCHEMBL3588944 0.84 DRD2 (0.44) DRD2DRD4GAAALDH1A1LMNA
SCHEMBL3595501 0.84 DRD2 (0.38) DRD2DRD4GAAALDH1A1LMNA

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.