SCHEMBL3393276

SCHEMBL3393276

O=C(CN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Nc1nc2ccccc2s1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC27A1 Q6PCB7 1/20 0.74
DRD2 P14416 3/20 0.59
DRD3 P35462 3/20 0.59
DRD4 P21917 2/20 0.59
HTR2A P28223 2/20 0.59
HTR7 P34969 2/20 0.59
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA7 P43166 1/20 0.53
KDM4E B2RXH2 1/20 0.53
NPC1 O15118 1/20 0.53
NFKB1 P19838 1/20 0.53
HTT P42858 1/20 0.53
RAB9A P51151 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
CSNK1D P48730 1/20 0.52
NCS1 P62166 1/20 0.52
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50

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
SCHEMBL3396188 0.92 SLC27A1 (0.64) SLC27A1CA1CA2CA7NFKB1
SCHEMBL3393148 0.91 SLC27A1 (0.62) SLC27A1CA1CA2CA7KDM4E
SCHEMBL3398002 0.89 SLC27A1 (0.62) SLC27A1CA1CA2KDM4EALDH1A1
SCHEMBL3392183 0.88 CLK1 (0.65) SLC27A1CA1CA2CA7HTT
SCHEMBL3394423 0.81 CLK1 (0.67) SLC27A1CA1CA2KDM4ENPC1
SCHEMBL4509197 0.79 SLC27A1 (0.62) SLC27A1KDM4ENFKB1NFKB2RELA
SCHEMBL3398024 0.79 ALDH1A1 (0.72) KDM4EMEN1ALDH1A1KMT2A
SCHEMBL3395419 0.79 CA1 (0.52) SLC27A1DRD2DRD3DRD4HTR2A
SCHEMBL3397006 0.79 CASR (0.58) KDM4ECSNK1DALDH1A1KMT2A
SCHEMBL8314566 0.79 SLC27A1 (0.67) SLC27A1KDM4ENPC1NFKB1HTT

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 SLC27A1 3163/4885DRD2 1596/4885DRD3 1173/4885

“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.