SCHEMBL4285137

SCHEMBL4285137

CC(C)(C)c1cc(N2CCN(C(=O)c3ccc(C(C)(C)C)s3)CC2)cc(C(C)(C)C)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
YEATS4 O95619 1/20 0.64
MAPT P10636 4/20 0.46
CYP2C9 P11712 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
KMT2A Q03164 5/20 0.44
HTT P42858 4/20 0.44
MEN1 O00255 4/20 0.44
TSHR P16473 1/20 0.44
LMNA P02545 2/20 0.43
TP53 P04637 1/20 0.43
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 2/20 0.43
DRD2 P14416 1/20 0.43
DRD3 P35462 1/20 0.43
FFAR1 O14842 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RECQL P46063 2/20 0.39
POLB P06746 1/20 0.39
NR4A1 P22736 1/20 0.39
BLM P54132 1/20 0.39

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 0.87 ALDH1A1 (0.50) YEATS4MAPTCYP2C9HDAC6KMT2A
SCHEMBL4276611 0.82 YEATS4 (0.42) YEATS4MAPTCYP2C9HDAC6KMT2A
SCHEMBL12529298 0.79 YEATS4 (0.77) YEATS4TSHRLMNAALDH1A1KDM4E
SCHEMBL11916011 0.79 YEATS4 (1.00) YEATS4MAPTKMT2AHTTMEN1
SCHEMBL2300134 0.78 YEATS4 (0.97) YEATS4MAPTKMT2AHTTMEN1
SCHEMBL4276166 0.77 MEN1 (0.55) MAPTKMT2AHTTMEN1TSHR
SCHEMBL4273078 0.76 LMNA (0.60) MAPTKMT2AHTTMEN1TSHR
SCHEMBL12529265 0.76 YEATS4 (0.71) YEATS4ALDH1A1KDM4EPOLBHPGD
SCHEMBL4276114 0.76 TP53 (0.51) MAPTKMT2AHTTMEN1TSHR
SCHEMBL12529261 0.75 YEATS4 (0.75) YEATS4MAPTALDH1A1KDM4ESMN1; SMN2

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 YEATS4 3859/4885MAPT 786/4885CYP2C9 3771/4885

“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.