SCHEMBL4285352

SCHEMBL4285352

CC(C)(C)c1cc(N2CCN(C(=O)c3snnc3-c3ccccc3)CC2)cc(C(C)(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
NPSR1 Q6W5P4 1/20 0.44
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44
SCD O00767 1/20 0.42
SCD5 Q86SK9 1/20 0.42
KDM4E B2RXH2 3/20 0.42
GAA P10253 1/20 0.42
LMNA P02545 2/20 0.40
TP53 P04637 2/20 0.40
CKS1B P61024 2/20 0.40
SKP1 P63208 2/20 0.40
SKP2 Q13309 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 2/20 0.40
SLC6A7 Q99884 1/20 0.40
SMO Q99835 1/20 0.40
TSHR P16473 1/20 0.40
GFER P55789 1/20 0.40

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
SCHEMBL4273078 0.76 LMNA (0.60) MAPTDRD2DRD3KDM4ELMNA
SCHEMBL4283474 0.76 ACACB (0.54) MAPTDRD2DRD3LMNAMEN1
SCHEMBL4271969 0.71 CA12 (0.49) MAPTDRD2DRD3KDM4ELMNA
SCHEMBL4274967 0.71 SIGLEC9 (0.44) MAPTNPSR1DRD2DRD3KDM4E
SCHEMBL4285450 0.71 TSHR (0.46) MAPTNPSR1DRD2DRD3KDM4E
SCHEMBL4276349 0.70 SMN1; SMN2 (0.58) KDM4EGAALMNAMEN1KMT2A
SCHEMBL4279836 0.68 ALDH1A1 (0.50) MAPTDRD2DRD3KDM4ELMNA
SCHEMBL4285137 0.68 YEATS4 (0.64) MAPTDRD2DRD3KDM4ELMNA
SCHEMBL4282501 0.68 HPGD (0.54) MAPTNPSR1DRD2DRD3KDM4E
SCHEMBL1380400 0.67 LMNA (0.51) MAPTKDM4EGAALMNATP53

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 MAPT 786/4885NPSR1 480/4885DRD2 389/4885

“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.