SCHEMBL4276150

SCHEMBL4276150

CCOc1ncccc1C(=O)N1CCN(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)CC1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.62
▸ SMN1; SMN2 Q16637 3/20 0.62
▸ KDM4E B2RXH2 2/20 0.62
▸ NPC1 O15118 2/20 0.60
▸ KMT2A Q03164 3/20 0.60
▸ MEN1 O00255 2/20 0.60
▸ MAPT P10636 2/20 0.60
▸ NPSR1 Q6W5P4 2/20 0.57
▸ MAPK1 P28482 1/20 0.57
▸ HCRTR1 O43613 5/20 0.52
▸ HCRTR2 O43614 5/20 0.52
▸ LMNA P02545 2/20 0.47
▸ TSHR P16473 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ POLB P06746 1/20 0.43

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 0.82 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2KDM4ENPC1KMT2A
SCHEMBL4272042 0.81 SMN1; SMN2 (0.49) ALDH1A1SMN1; SMN2KDM4ENPC1KMT2A
SCHEMBL4279396 0.78 NPY2R (0.43) ALDH1A1SMN1; SMN2KDM4EKMT2AMEN1
SCHEMBL29944048 0.78 ALDH1A1 (0.74) ALDH1A1SMN1; SMN2KDM4ENPC1KMT2A
SCHEMBL4276349 0.75 SMN1; SMN2 (0.58) ALDH1A1SMN1; SMN2KDM4EKMT2AMEN1
SCHEMBL4276109 0.74 NPC1 (0.46) ALDH1A1SMN1; SMN2KDM4ENPC1KMT2A
SCHEMBL13658135 0.73 TP53 (0.44) ALDH1A1SMN1; SMN2KDM4EKMT2AMEN1
SCHEMBL1429623 0.72 KMT2A (0.79) ALDH1A1SMN1; SMN2KDM4ENPC1KMT2A
SCHEMBL4762716 0.72 SMN1; SMN2 (0.51) ALDH1A1SMN1; SMN2KDM4EKMT2AMEN1
SCHEMBL8247543 0.72 MEN1 (0.58) ALDH1A1SMN1; SMN2KDM4EKMT2AMEN1

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 ALDH1A1 1924/4885SMN1; SMN2 2531/4885KDM4E 3805/4885

“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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