SCHEMBL4276114

SCHEMBL4276114

CC(C)(C)c1cc(N2CCN(C(=O)c3cc4cc(C(F)(F)F)ccc4s3)CC2)cc(C(C)(C)C)c1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.51
HRH4 Q9H3N8 1/20 0.46
CHRNA7 P36544 1/20 0.46
HTR3A P46098 1/20 0.46
TSHR P16473 3/20 0.45
LMNA P02545 3/20 0.45
HTT P42858 2/20 0.45
ALDH1A1 P00352 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GAA P10253 1/20 0.44
POLB P06746 2/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ATM Q13315 1/20 0.43

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
SCHEMBL4279836 0.76 ALDH1A1 (0.50) TP53TSHRLMNAHTTALDH1A1
SCHEMBL4285137 0.76 YEATS4 (0.64) TP53TSHRLMNAHTTALDH1A1
SCHEMBL17938614 0.75 CACNA2D1 (0.53) HRH4NPSR1L3MBTL1MAPTKMT2A
SCHEMBL10203147 0.73 HRH4 (0.47) HRH4TSHRLMNAHTTALDH1A1
SCHEMBL4276166 0.73 MEN1 (0.55) TP53TSHRHTTALDH1A1L3MBTL1
SCHEMBL4273126 0.72 MAPT (0.42) TP53TSHRLMNAHTTALDH1A1
SCHEMBL2204300 0.72 HDAC6 (0.64) TP53TSHRLMNAHTTALDH1A1
SCHEMBL912558 0.72 MGLL (0.58) HRH4CHRNA7HTR3AALDH1A1L3MBTL1
SCHEMBL4283608 0.72 KMT2A (0.51) TSHRLMNAHTTALDH1A1NPSR1
SCHEMBL17954145 0.72 HRH4 (0.51) HRH4ALDH1A1NPSR1L3MBTL1MAPT

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 TP53 3374/4885HRH4 1286/4885CHRNA7 399/4885

“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.