SCHEMBL4276349

SCHEMBL4276349

CC(C)(C)c1cc(N2CCN(C(=O)c3ccncc3)CC2)cc(C(C)(C)C)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.58
AKR1C3 P42330 1/20 0.58
ALDH1A1 P00352 4/20 0.58
GAA P10253 1/20 0.58
HTT P42858 2/20 0.54
KDM4E B2RXH2 1/20 0.54
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
HPGD P15428 1/20 0.51
ALOX15 P16050 1/20 0.51
CYP3A4 P08684 3/20 0.51
TSHR P16473 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
LMNA P02545 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
HIF1A Q16665 1/20 0.50
GBA1 P04062 2/20 0.48
HSD17B10 Q99714 2/20 0.48
CYP2C9 P11712 2/20 0.48

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 0.87 LMNA (0.60) SMN1; SMN2ALDH1A1HTTKDM4EMEN1
SCHEMBL4274664 0.85 HSP90AA1 (0.59) SMN1; SMN2ALDH1A1HTTKDM4EMEN1
SCHEMBL4279408 0.83 ALDH1A1 (0.59) SMN1; SMN2ALDH1A1HTTKDM4EMEN1
SCHEMBL17886715 0.82 ALDH1A1 (0.70) SMN1; SMN2AKR1C3ALDH1A1GAAHTT
SCHEMBL4273972 0.81 MLYCD (0.61) SMN1; SMN2ALDH1A1HTTKDM4EMEN1
SCHEMBL7163568 0.79 ALDH1A1 (0.80) SMN1; SMN2AKR1C3ALDH1A1GAAHTT
SCHEMBL4283474 0.79 ACACB (0.54) MEN1KMT2ATSHRLMNAABL1
SCHEMBL4277887 0.79 LMNA (0.47) SMN1; SMN2ALDH1A1HTTKDM4EKMT2A
SCHEMBL13757447 0.77 MEN1 (0.63) SMN1; SMN2ALDH1A1HTTKDM4EMEN1
SCHEMBL4274790 0.77 MAPT (0.40) SMN1; SMN2ALDH1A1GAAHTTKDM4E

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 SMN1; SMN2 2531/4885AKR1C3 4630/4885ALDH1A1 1924/4885

“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.