SCHEMBL4465361

SCHEMBL4465361

Cc1ccc(C(=O)NCC=CCNC(=O)CCCCC(c2ccc(F)cc2)c2ccc(F)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SLC6A9 P48067 1/20 0.50
▸ EPHX2 P34913 6/20 0.47
▸ KCNH2 Q12809 2/20 0.46
▸ HDAC3 O15379 2/20 0.44
▸ HDAC1 Q13547 2/20 0.44
▸ SLC6A3 Q01959 4/20 0.44
▸ NCOR2 Q9Y618 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.43
▸ FOLH1 Q04609 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ TBXA2R P21731 1/20 0.42
▸ GAA P10253 1/20 0.41

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
SCHEMBL4461668 1.00 SLC6A9 (0.50) SLC6A9EPHX2KCNH2HDAC3HDAC1
SCHEMBL4465355 1.00 SLC6A9 (0.50) SLC6A9EPHX2KCNH2HDAC3HDAC1
SCHEMBL4462494 0.94 EPHX2 (0.49) EPHX2KCNH2SLC6A3FOLH1POLB
SCHEMBL4462497 0.94 EPHX2 (0.49) EPHX2KCNH2SLC6A3FOLH1POLB
SCHEMBL4464693 0.94 EPHX2 (0.49) EPHX2KCNH2SLC6A3FOLH1POLB
SCHEMBL4475904 0.91 EPHX2 (0.47) EPHX2KCNH2HDAC3HDAC1SLC6A3
SCHEMBL4454540 0.91 EPHX2 (0.47) EPHX2KCNH2HDAC3HDAC1SLC6A3
SCHEMBL4454541 0.91 EPHX2 (0.47) EPHX2KCNH2HDAC3HDAC1SLC6A3
SCHEMBL4461322 0.89 KCNH2 (0.58) EPHX2KCNH2SLC6A3
SCHEMBL4461324 0.89 KCNH2 (0.58) EPHX2KCNH2SLC6A3

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-7511077-B2 Diamine calcium channel blockers NEUROMED PHARMACEUTICALS LTD. (CA) 2009-03-31 — — US claimed
EP-1846365-A1 DIAMINE CALCIUM CHANNEL BLOCKERS Neuromed Pharmaceuticals, Ltd. (CA) 2007-10-24 — — EP claimed
US-20060235050-A1 Diamine calcium channel blockers NUEROMED TECHNOLOGIES, INC. (CA) 2006-10-19 — — US claimed
WO-2006084369-A1 DIAMINE CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2006-08-17 — — WO claimed
US-7511077-B2 Diamine calcium channel blockers NEUROMED PHARMACEUTICALS LTD. (CA) 2009-03-31 — — US disclosed
US-20060235050-A1 Diamine calcium channel blockers NUEROMED TECHNOLOGIES, INC. (CA) 2006-10-19 — — US 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-20060235050-A1 Diamine calcium channel blockers CACNA1G, CACNA1H, CACNA1I SLC6A9 988/4885EPHX2 2479/4885KCNH2 44/4885

“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.

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