SCHEMBL3392827

SCHEMBL3392827

O=C(CN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Nc1ncc(Cl)s1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
CA7 P43166 2/20 0.54
OGA O60502 1/20 0.50
CA9 Q16790 1/20 0.48
SLC27A1 Q6PCB7 4/20 0.46
ALDH1A1 P00352 2/20 0.46
SLC6A9 P48067 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ATM Q13315 1/20 0.44
POLB P06746 1/20 0.44
USP2 O75604 1/20 0.44
GAA P10253 1/20 0.43

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
SCHEMBL3396176 0.89 MEN1 (0.54) CA1CA2CA7OGAALDH1A1
SCHEMBL3391968 0.88 KDM4E (0.60) CA1CA2CA7OGACA9
SCHEMBL3393954 0.81 CA1 (0.56) CA1CA2CA7ALDH1A1MEN1
SCHEMBL3392183 0.79 CLK1 (0.65) CA1CA2CA7SLC27A1ALDH1A1
SCHEMBL3393276 0.78 SLC27A1 (0.74) CA1CA2CA7SLC27A1ALDH1A1
SCHEMBL3393148 0.78 SLC27A1 (0.62) CA1CA2CA7SLC27A1ALDH1A1
SCHEMBL3394204 0.77 SMN1; SMN2 (0.64) CA1CA2CA7ALDH1A1KDM4E
SCHEMBL3390183 0.73 MMP2 (0.65) CA1CA2CA7ALDH1A1KDM4E
SCHEMBL7430239 0.73 CA1 (0.65) CA1CA2CA7ALDH1A1MEN1
SCHEMBL3398002 0.72 SLC27A1 (0.62) CA1CA2CA9SLC27A1ALDH1A1

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 6 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
EP-2024364-A1 HETEROCYCLIC COMPOUNDS AS CALCIUM CHANNEL BLOCKERS Neuromed Pharmaceuticals, Ltd. (CA) 2009-02-18 EP claimed
WO-2007137417-A1 HETEROCYCLIC COMPOUNDS AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2007-12-06 WO 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 CA1 313/4885CA2 85/4885CA7 821/4885

“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.