SCHEMBL4272042

SCHEMBL4272042

CCCSc1ncccc1C(=O)N1CCN(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ MAPT P10636 2/20 0.49
▸ HTT P42858 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ HSD11B1 P28845 5/20 0.48
▸ KMT2A Q03164 3/20 0.45
▸ KDM4E B2RXH2 1/20 0.41
▸ LMNA P02545 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ DRD2 P14416 1/20 0.40
▸ DRD3 P35462 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ NPC1 O15118 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ ALDH1A1 P00352 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
SCHEMBL4279845 0.92 SMN1; SMN2 (0.50) SMN1; SMN2MAPTHTTTDP1KMT2A
SCHEMBL4276150 0.81 ALDH1A1 (0.62) SMN1; SMN2MAPTKMT2AKDM4ELMNA
SCHEMBL4279396 0.76 NPY2R (0.43) SMN1; SMN2MAPTKMT2AKDM4ELMNA
SCHEMBL13658135 0.71 TP53 (0.44) SMN1; SMN2MAPTHTTKMT2AKDM4E
SCHEMBL4276349 0.71 SMN1; SMN2 (0.58) SMN1; SMN2HTTKMT2AKDM4ELMNA
SCHEMBL8247543 0.70 MEN1 (0.58) SMN1; SMN2MAPTHTTKMT2AKDM4E
SCHEMBL20965408 0.69 L3MBTL1 (0.55) SMN1; SMN2MAPTHTTTDP1KMT2A
SCHEMBL4273078 0.69 LMNA (0.60) SMN1; SMN2MAPTHTTKMT2AKDM4E
SCHEMBL20965325 0.69 MAPT (0.54) SMN1; SMN2MAPTHTTTDP1KMT2A
SCHEMBL3093813 0.69 SMN1; SMN2 (0.70) SMN1; SMN2HTTHSD11B1KMT2AKDM4E

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 2531/4885MAPT 786/4885HTT 2262/4885

“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.

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