SCHEMBL8268633

SCHEMBL8268633

O=C(CN1CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1)Nc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.64
▸ KMT2A Q03164 1/20 0.64
▸ ALDH1A1 P00352 5/20 0.58
▸ CACNA2D1 P54289 4/20 0.57
▸ CACNA1B Q00975 4/20 0.57
▸ CACNB1 Q02641 4/20 0.57
▸ CACNA1C Q13936 3/20 0.57
▸ NPC1 O15118 2/20 0.57
▸ KDM4E B2RXH2 1/20 0.57
▸ CACNA1H O95180 1/20 0.57
▸ LMNA P02545 1/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ TP53 P04637 1/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ CHRNB2 P17787 1/20 0.54
▸ CHRNB4 P30926 1/20 0.54
▸ CHRNA3 P32297 1/20 0.54
▸ CHRNA4 P43681 1/20 0.54
▸ ME2 P23368 1/20 0.54
▸ ME1 P48163 1/20 0.54

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
SCHEMBL3860430 0.84 MEN1 (0.58) MEN1KMT2AALDH1A1CACNA2D1CACNA1B
SCHEMBL3862189 0.83 CACNA2D1 (0.66) CACNA2D1CACNA1BCACNB1CACNA1CCACNA1H
SCHEMBL6893687 0.83 ALDH1A1 (0.79) MEN1KMT2AALDH1A1NPC1KDM4E
SCHEMBL26330969 0.81 CACNA2D1 (0.81) CACNA2D1CACNA1BCACNB1CACNA1CCACNA1H
SCHEMBL5027731 0.79 CACNA2D1 (0.57) MEN1KMT2ACACNA2D1CACNA1BCACNB1
SCHEMBL5308137 0.79 MEN1 (0.60) MEN1KMT2AALDH1A1NPC1KDM4E
SCHEMBL14192211 0.78 ALDH1A1 (0.72) MEN1KMT2AALDH1A1NPC1KDM4E
SCHEMBL5314683 0.78 MEN1 (0.62) MEN1KMT2AALDH1A1NPC1KDM4E
SCHEMBL31520485 0.78 MEN1 (1.00) MEN1KMT2AALDH1A1NPC1KDM4E
SCHEMBL5308328 0.78 HDAC3 (0.61) MEN1KMT2AALDH1A1NPC1KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7186726-B2 Preferentially substituted calcium channel blockers NEUROMED PHARMACEUTICALS LTD. (CA) 2007-03-06 — — US disclosed
US-20040147529-A1 Preferentially substituted calcium channel blockers ZALICUS PHARMACEUTICALS LTD. (CA) 2004-07-29 — — 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-20040147529-A1 Preferentially substituted calcium channel blockers CACNA1B, CACNA1C, CACNA1D MEN1 2981/4885KMT2A 3192/4885ALDH1A1 3720/4885

“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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