SCHEMBL4282501

SCHEMBL4282501

CC(C)(C)c1cc(N2CCN(C(=O)c3nsc(Cl)c3Cl)CC2)cc(C(C)(C)C)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.54
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
ALDH1A1 P00352 3/20 0.38
HTT P42858 2/20 0.38
KDM4E B2RXH2 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
TSHR P16473 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
MAPT P10636 3/20 0.36
MGLL Q99685 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TP53 P04637 4/20 0.35
USP2 O75604 1/20 0.35
CYP3A4 P08684 1/20 0.35
GAA P10253 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 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
SCHEMBL4282492 0.72 ALDH1A1 (0.39) DRD2DRD3ALDH1A1HTTKDM4E
SCHEMBL4276349 0.72 SMN1; SMN2 (0.58) HPGDALDH1A1HTTKDM4EL3MBTL1
SCHEMBL4273078 0.70 LMNA (0.60) DRD2DRD3ALDH1A1HTTKDM4E
SCHEMBL4274967 0.70 SIGLEC9 (0.44) DRD2DRD3ALDH1A1HTTKDM4E
SCHEMBL4279408 0.69 ALDH1A1 (0.59) HPGDALDH1A1HTTKDM4ETSHR
SCHEMBL4279836 0.69 ALDH1A1 (0.50) HPGDDRD2DRD3ALDH1A1HTT
SCHEMBL4285137 0.69 YEATS4 (0.64) HPGDDRD2DRD3ALDH1A1HTT
SCHEMBL4276103 0.69 ALDH1A1 (0.42) ALDH1A1KDM4EL3MBTL1TSHRFFAR4
SCHEMBL4274664 0.69 HSP90AA1 (0.59) HPGDALDH1A1HTTKDM4EL3MBTL1
SCHEMBL4284018 0.68 KDM4E (0.50) HPGDDRD2DRD3ALDH1A1HTT

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 HPGD 2442/4885DRD2 389/4885DRD3 590/4885

“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.