SCHEMBL3392183

SCHEMBL3392183

O=C(CN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Nc1nc2ccc(Cl)cc2s1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 3/20 0.65
POLB P06746 2/20 0.65
MEN1 O00255 1/20 0.65
KMT2A Q03164 1/20 0.65
SLC27A1 Q6PCB7 1/20 0.58
ALDH1A1 P00352 2/20 0.50
HTT P42858 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MAPT P10636 1/20 0.50
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49

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
SCHEMBL3393148 0.92 SLC27A1 (0.62) CLK1POLBMEN1KMT2ASLC27A1
SCHEMBL3394423 0.91 CLK1 (0.67) CLK1POLBMEN1KMT2ASLC27A1
SCHEMBL3393276 0.88 SLC27A1 (0.74) CLK1MEN1KMT2ASLC27A1ALDH1A1
SCHEMBL3398002 0.87 SLC27A1 (0.62) CLK1SLC27A1ALDH1A1CA1CA2
SCHEMBL8356385 0.82 ALDH1A1 (0.66) CLK1POLBMEN1KMT2AALDH1A1
SCHEMBL3396188 0.79 SLC27A1 (0.64) CLK1POLBMEN1KMT2ASLC27A1
SCHEMBL28643433 0.79 CLK1 (1.00) CLK1POLBMEN1KMT2AALDH1A1
SCHEMBL3392827 0.79 CA1 (0.54) POLBMEN1KMT2ASLC27A1ALDH1A1
SCHEMBL3398024 0.77 ALDH1A1 (0.72) POLBMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL3397006 0.77 CASR (0.58) POLBKMT2AALDH1A1SMN1; SMN2

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 CLK1 3714/4885POLB 4270/4885MEN1 1616/4885

“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.