SCHEMBL3398002

SCHEMBL3398002

O=C(CN1CCN(C(c2ccccc2)c2ccccc2)CC1)Nc1nc2ccc(F)cc2s1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC27A1 Q6PCB7 1/20 0.62
CLK1 P49759 2/20 0.55
CASR P41180 1/20 0.55
ACP1 P24666 1/20 0.54
GFER P55789 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
LRRK2 Q5S007 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA4 P22748 1/20 0.53
CA9 Q16790 1/20 0.53
PAX8 Q06710 1/20 0.53
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52

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 0.94 SLC27A1 (0.62) SLC27A1CLK1GFERL3MBTL1CA1
SCHEMBL3393276 0.89 SLC27A1 (0.74) SLC27A1CLK1CA1CA2KDM4E
SCHEMBL3396188 0.89 SLC27A1 (0.64) SLC27A1CLK1CA1CA2ALDH1A1
SCHEMBL3394423 0.89 CLK1 (0.67) SLC27A1CLK1CASRACP1CA1
SCHEMBL3392183 0.87 CLK1 (0.65) SLC27A1CLK1CA1CA2ALDH1A1
SCHEMBL3398024 0.86 ALDH1A1 (0.72) CASRKDM4EALDH1A1
SCHEMBL3397006 0.86 CASR (0.58) CASRACP1KDM4EALDH1A1
SCHEMBL3394225 0.85 KDM4E (0.71) CLK1CASRACP1CA1CA2
SCHEMBL8358629 0.85 SLC27A1 (0.63) SLC27A1CLK1GFERL3MBTL1
SCHEMBL13497073 0.84 USP2 (0.58) CLK1KDM4EALDH1A1

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 7 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
US-20100029681-A1 HETEROCYCLIC COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2010-02-04 US disclosed
EP-2024364-A1 HETEROCYCLIC COMPOUNDS AS CALCIUM CHANNEL BLOCKERS Neuromed Pharmaceuticals, Ltd. (CA) 2009-02-18 EP disclosed
WO-2007137417-A1 HETEROCYCLIC COMPOUNDS AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2007-12-06 WO 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 SLC27A1 3163/4885CLK1 3714/4885CASR 153/4885

“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.