SCHEMBL4271969

SCHEMBL4271969

Cc1ccsc1C(=O)N1CCN(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
RAB9A P51151 1/20 0.47
ALDH1A1 P00352 3/20 0.44
HTT P42858 2/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 2/20 0.43
SIGLEC9 Q9Y336 1/20 0.43
MAPK1 P28482 1/20 0.42
DRD2 P14416 1/20 0.42
DRD3 P35462 1/20 0.42
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
GFER P55789 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 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
SCHEMBL4274967 0.77 SIGLEC9 (0.44) ALDH1A1HTTKDM4ELMNASIGLEC9
SCHEMBL4280093 0.76 LMNA (0.56) ALDH1A1HTTKDM4ELMNAMAPK1
SCHEMBL4279836 0.76 ALDH1A1 (0.50) ALDH1A1HTTKDM4ELMNADRD2
SCHEMBL4273078 0.75 LMNA (0.60) ALDH1A1HTTKDM4ELMNAMAPK1
SCHEMBL4282492 0.74 ALDH1A1 (0.39) CA12CA1CA2CA9ALDH1A1
SCHEMBL4276349 0.74 SMN1; SMN2 (0.58) ALDH1A1HTTKDM4ELMNAMAPK1
SCHEMBL4285137 0.73 YEATS4 (0.64) ALDH1A1HTTKDM4ELMNADRD2
SCHEMBL4273126 0.73 MAPT (0.42) ALDH1A1HTTKDM4ELMNAMAPT
SCHEMBL4274664 0.73 HSP90AA1 (0.59) ALDH1A1HTTKDM4ELMNAMAPK1
SCHEMBL4285450 0.72 TSHR (0.46) ALDH1A1HTTKDM4ELMNAMAPK1

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 CA12 3890/4885CA1 613/4885CA2 120/4885

“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.