SCHEMBL3396176

SCHEMBL3396176

O=C(CN1CCN(C(c2ccccc2)c2ccccc2)CC1)Nc1ncc(Cl)s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
NPSR1 Q6W5P4 1/20 0.54
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA7 P43166 1/20 0.53
SMN1; SMN2 Q16637 5/20 0.52
POLB P06746 1/20 0.52
MAPT P10636 1/20 0.52
HTT P42858 2/20 0.50
GAA P10253 2/20 0.50
LMNA P02545 2/20 0.50
RECQL P46063 1/20 0.48
OGA O60502 1/20 0.48
HBB P68871 1/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
CACNA2D1 P54289 2/20 0.47
CACNA1B Q00975 2/20 0.47
CACNB1 Q02641 2/20 0.47

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
SCHEMBL3392827 0.89 CA1 (0.54) MEN1KMT2ACA1CA2CA7
SCHEMBL3394204 0.87 SMN1; SMN2 (0.64) MEN1KMT2ANPSR1CA1CA2
SCHEMBL3394398 0.80 KCNA5 (0.65) MEN1KMT2ANPSR1SMN1; SMN2LMNA
SCHEMBL3396188 0.79 SLC27A1 (0.64) MEN1KMT2ANPSR1CA1CA2
SCHEMBL3394423 0.78 CLK1 (0.67) MEN1KMT2ACA1CA2SMN1; SMN2
SCHEMBL3391968 0.77 KDM4E (0.60) MEN1KMT2ACA1CA2CA7
SCHEMBL3398002 0.74 SLC27A1 (0.62) CA1CA2KDM4EALDH1A1
SCHEMBL14859945 0.73 LMNA (0.75) MEN1KMT2ANPSR1CA1CA2
SCHEMBL23086156 0.72 MEN1 (0.60) MEN1KMT2ANPSR1CA1CA2
SCHEMBL14859743 0.72 SLC6A9 (0.67) MEN1KMT2ANPSR1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029681-A1 HETEROCYCLIC COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2010-02-04 US claimed
US-20100029681-A1 HETEROCYCLIC COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2010-02-04 US disclosed
US-20100029681-A1 HETEROCYCLIC COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2010-02-04 US disclosed
WO-2007137417-A1 HETEROCYCLIC COMPOUNDS AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2007-12-06 WO 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-20100029681-A1 HETEROCYCLIC COMPOUNDS AS CALCIUM CHANNEL BLOCKERS CACNA1B, CACNA1C, CACNA1I MEN1 1616/4885KMT2A 4085/4885NPSR1 847/4885

“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.