SCHEMBL4279845

SCHEMBL4279845

CCSc1ncccc1C(=O)N1CCN(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.50
▸ MAPT P10636 3/20 0.50
▸ HTT P42858 2/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ KMT2A Q03164 6/20 0.47
▸ LMNA P02545 5/20 0.43
▸ MEN1 O00255 5/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ PKM P14618 1/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ DRD2 P14416 1/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ MAPK1 P28482 2/20 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
SCHEMBL4272042 0.92 SMN1; SMN2 (0.49) SMN1; SMN2MAPTHTTTDP1KMT2A
SCHEMBL4276150 0.82 ALDH1A1 (0.62) SMN1; SMN2MAPTKMT2ALMNAMEN1
SCHEMBL4279396 0.77 NPY2R (0.43) SMN1; SMN2MAPTKMT2ALMNAMEN1
SCHEMBL13658135 0.73 TP53 (0.44) SMN1; SMN2MAPTHTTKMT2ALMNA
SCHEMBL4276349 0.72 SMN1; SMN2 (0.58) SMN1; SMN2HTTKMT2ALMNAMEN1
SCHEMBL22952461 0.71 ALDH1A1 (0.47) SMN1; SMN2HTTKMT2AMEN1ALDH1A1
SCHEMBL8247543 0.71 MEN1 (0.58) SMN1; SMN2MAPTHTTKMT2ALMNA
SCHEMBL20965408 0.71 L3MBTL1 (0.55) SMN1; SMN2MAPTHTTTDP1KMT2A
SCHEMBL4273078 0.71 LMNA (0.60) SMN1; SMN2MAPTHTTKMT2ALMNA
SCHEMBL20965325 0.70 MAPT (0.54) SMN1; SMN2MAPTHTTTDP1KMT2A

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.

Send feedback