SCHEMBL4284018

SCHEMBL4284018

Cn1nc(C(C)(C)C)cc1C(=O)N1CCN(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
GRN P28799 1/20 0.50
SORT1 Q99523 1/20 0.50
ATM Q13315 1/20 0.45
DRD2 P14416 1/20 0.42
DRD3 P35462 1/20 0.42
GAA P10253 1/20 0.41
EPHX2 P34913 1/20 0.41
LMNA P02545 2/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALDH1A1 P00352 1/20 0.39
NAA50 Q9GZZ1 3/20 0.39
NAMPT P43490 1/20 0.39
GALR3 O60755 1/20 0.39
TSHR P16473 1/20 0.39
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL4273983 0.77 ALDH1A1 (0.41) KDM4EATMDRD2DRD3GAA
SCHEMBL4281855 0.75 ALDH1A1 (0.42) KDM4EATMDRD2DRD3GAA
SCHEMBL4276349 0.74 SMN1; SMN2 (0.58) KDM4EGAALMNAHTTSMN1; SMN2
SCHEMBL4817595 0.73 KDM4E (0.54) KDM4EGRNSORT1EPHX2LMNA
SCHEMBL4817606 0.73 KDM4E (0.54) KDM4EGRNSORT1EPHX2LMNA
SCHEMBL4423533 0.72 NAA50 (0.52) KDM4EGRNSORT1GAAEPHX2
SCHEMBL4273078 0.72 LMNA (0.60) KDM4EDRD2DRD3LMNAHTT
SCHEMBL4280093 0.71 LMNA (0.56) KDM4EDRD2DRD3LMNAHTT
SCHEMBL4274664 0.70 HSP90AA1 (0.59) KDM4ELMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL3135763 0.69 HTR2A (0.62) KDM4EEPHX2HTTSMN1; SMN2ALDH1A1

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-20090270413-A1 DI-T-BUTYLPHENYL PIPERAZINES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2009-10-29 US disclosed
US-20090270413-A1 DI-T-BUTYLPHENYL PIPERAZINES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2009-10-29 US disclosed
US-20090270413-A1 DI-T-BUTYLPHENYL PIPERAZINES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2009-10-29 US 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-20090270413-A1 DI-T-BUTYLPHENYL PIPERAZINES AS CALCIUM CHANNEL BLOCKERS CACNA1G, CACNA1C, CACNA1I KDM4E 3805/4885GRN 3217/4885SORT1 4468/4885

“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.