SCHEMBL4465490

SCHEMBL4465490

CC(C)c1ccc(C(=O)NCC#CCNC(=O)CCCCC(c2ccc(F)cc2)c2ccc(F)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 9/20 0.49
▸ SLC6A3 Q01959 1/20 0.47
▸ KCNH2 Q12809 2/20 0.47
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ CYP2J2 P51589 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ HDAC3 O15379 2/20 0.43
▸ FOLH1 Q04609 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ HDAC4 P56524 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC7 Q8WUI4 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ HDAC10 Q969S8 1/20 0.43
▸ HDAC11 Q96DB2 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43
▸ HDAC6 Q9UBN7 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
SCHEMBL4475302 0.95 EPHX2 (0.53) EPHX2SLC6A3KCNH2CYP2C9CYP2C19
SCHEMBL4460835 0.92 POLB (0.53) EPHX2SLC6A3KCNH2CYP2C9CYP2C19
SCHEMBL4462507 0.91 SLC6A9 (0.52) EPHX2SLC6A3KCNH2CYP2C9CYP2C19
SCHEMBL4459399 0.89 KCNH2 (0.59) EPHX2SLC6A3KCNH2HDAC6
SCHEMBL4464147 0.89 SLC6A3 (0.58) EPHX2SLC6A3NPC1RAB9ASMN1; SMN2
SCHEMBL4457002 0.88 SLC6A9 (0.55) EPHX2KCNH2CYP2C9CYP2C19NPC1
SCHEMBL4454541 0.87 EPHX2 (0.47) EPHX2SLC6A3KCNH2NPC1RAB9A
SCHEMBL4475904 0.87 EPHX2 (0.47) EPHX2SLC6A3KCNH2NPC1RAB9A
SCHEMBL4454540 0.87 EPHX2 (0.47) EPHX2SLC6A3KCNH2NPC1RAB9A
SCHEMBL5501475 0.84 SLC6A9 (0.52) EPHX2KCNH2CYP2C9CYP2C19NPC1

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