SCHEMBL4475904

SCHEMBL4475904

CC(C)c1ccc(C(=O)NC/C=C/CNC(=O)CCCCC(c2ccc(F)cc2)c2ccc(F)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 6/20 0.47
▸ SLC6A3 Q01959 2/20 0.46
▸ KCNH2 Q12809 2/20 0.46
▸ RAB9A P51151 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ POLB P06746 2/20 0.44
▸ HDAC3 O15379 2/20 0.42
▸ FOLH1 Q04609 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ HDAC4 P56524 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC7 Q8WUI4 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ HDAC10 Q969S8 1/20 0.42
▸ HDAC11 Q96DB2 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ HDAC9 Q9UKV0 1/20 0.42

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
SCHEMBL4454540 1.00 EPHX2 (0.47) EPHX2SLC6A3KCNH2RAB9ASMN1; SMN2
SCHEMBL4454541 1.00 EPHX2 (0.47) EPHX2SLC6A3KCNH2RAB9ASMN1; SMN2
SCHEMBL4462497 0.94 EPHX2 (0.49) EPHX2SLC6A3KCNH2RAB9ANPC1
SCHEMBL4464693 0.94 EPHX2 (0.49) EPHX2SLC6A3KCNH2RAB9ANPC1
SCHEMBL4462494 0.94 EPHX2 (0.49) EPHX2SLC6A3KCNH2RAB9ANPC1
SCHEMBL4465361 0.91 SLC6A9 (0.50) EPHX2SLC6A3KCNH2POLBHDAC3
SCHEMBL4462455 0.91 POLB (0.55) EPHX2SLC6A3KCNH2RAB9ASMN1; SMN2
SCHEMBL4462458 0.91 POLB (0.55) EPHX2SLC6A3KCNH2RAB9ASMN1; SMN2
SCHEMBL4475958 0.91 POLB (0.55) EPHX2SLC6A3KCNH2RAB9ASMN1; SMN2
SCHEMBL4465355 0.91 SLC6A9 (0.50) EPHX2SLC6A3KCNH2POLBHDAC3

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 8 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-7511077-B2 Diamine calcium channel blockers NEUROMED PHARMACEUTICALS LTD. (CA) 2009-03-31 — — US disclosed
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 EPHX2 2479/4885SLC6A3 461/4885KCNH2 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.

Send feedback