SCHEMBL4457002

SCHEMBL4457002

COc1ccc(C(=O)NCC#CCNC(=O)CCCCC(c2ccc(F)cc2)c2ccc(F)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A9 P48067 2/20 0.55
▸ SLC6A5 Q9Y345 2/20 0.55
▸ ALDH1A1 P00352 3/20 0.50
▸ GAA P10253 2/20 0.50
▸ LMNA P02545 4/20 0.48
▸ EPHX2 P34913 3/20 0.47
▸ KCNH2 Q12809 3/20 0.47
▸ KMT2A Q03164 2/20 0.46
▸ HTT P42858 2/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CRHBP P24387 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ CRHR2 Q13324 1/20 0.46
▸ POLB P06746 1/20 0.44
▸ NPC1 O15118 2/20 0.44

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
SCHEMBL5501475 0.96 SLC6A9 (0.52) SLC6A9SLC6A5ALDH1A1GAALMNA
SCHEMBL4475302 0.92 EPHX2 (0.53) SLC6A9GAAEPHX2KCNH2CYP2C9
SCHEMBL4462507 0.88 SLC6A9 (0.52) SLC6A9GAAEPHX2KCNH2CYP2C9
SCHEMBL4465490 0.88 EPHX2 (0.49) GAAEPHX2KCNH2CYP2C9CYP2C19
SCHEMBL4460835 0.87 POLB (0.53) SLC6A9SLC6A5EPHX2KCNH2CYP2C9
SCHEMBL4459399 0.86 KCNH2 (0.59) EPHX2KCNH2
SCHEMBL4474701 0.85 KCNH2 (0.62) KCNH2KMT2AMEN1POLBMAPK1
SCHEMBL4472864 0.82 KCNH2 (0.63) KCNH2
SCHEMBL8262020 0.79 FAAH (0.45) LMNAEPHX2KCNH2KMT2AMEN1
SCHEMBL4464693 0.78 EPHX2 (0.49) GAALMNAEPHX2KCNH2POLB

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 7 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-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 988/4885SLC6A5 967/4885ALDH1A1 2521/4885

“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