SCHEMBL5026249

SCHEMBL5026249

O=C(NCC(=O)N1CCN(C(=O)CCCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 9/20 0.57
SLC6A9 P48067 1/20 0.50
SLC6A5 Q9Y345 1/20 0.50
SLC6A3 Q01959 4/20 0.49
CACNA1F O60840 2/20 0.49
DRD4 P21917 2/20 0.49
DRD5 P21918 2/20 0.49
HRH2 P25021 2/20 0.49
ADRA1D P25100 2/20 0.49
HTR2A P28223 2/20 0.49
HTR7 P34969 2/20 0.49
ADRA1A P35348 2/20 0.49
HRH1 P35367 2/20 0.49
ADRA1B P35368 2/20 0.49
OPRM1 P35372 2/20 0.49
DRD3 P35462 2/20 0.49
OPRD1 P41143 2/20 0.49
OPRK1 P41145 2/20 0.49
HTR6 P50406 2/20 0.49
CACNA1D Q01668 2/20 0.49

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
SCHEMBL5026253 0.95 KCNH2 (0.61) KCNH2SLC6A3CACNA1FDRD4DRD5
SCHEMBL5023606 0.92 KCNH2 (0.59) KCNH2SLC6A3CACNA1FDRD4DRD5
SCHEMBL5017506 0.91 KCNH2 (0.57) KCNH2SLC6A3CACNA1FDRD4DRD5
SCHEMBL5023799 0.90 KCNH2 (0.59) KCNH2SLC6A9SLC6A3CACNA1FDRD4
SCHEMBL5017462 0.89 SLC6A3 (0.54) KCNH2SLC6A9SLC6A5SLC6A3CACNA1F
SCHEMBL5024621 0.88 KCNH2 (0.73) KCNH2SLC6A3CACNA1FDRD4DRD5
SCHEMBL5023604 0.83 HTR2A (0.59) KCNH2SLC6A3CACNA1FDRD4DRD5
SCHEMBL5023698 0.81 CYP3A4 (0.57) KCNH2SLC6A3CACNA1FDRD4DRD5
SCHEMBL5027722 0.80 HTR2A (0.59) KCNH2SLC6A3CACNA1FDRD4DRD5
SCHEMBL5026290 0.79 CYP3A4 (0.57) KCNH2SLC6A9SLC6A3CACNA1FDRD4

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
EP-1611116-A2 CALCIUM CHANNEL INHIBITORS COMPRISING BENZHYDRIL SPACED FROM PIPERAZINE Neuromed Technologies, Inc. (CA) 2006-01-04 EP claimed
US-20040266784-A1 Calcium channel inhibitors comprising benzhydril spaced from piperazine ZALICUS PHARMACEUTICALS LTD. (CA) 2004-12-30 US claimed
WO-2004089922-A2 CALCIUM CHANNEL INHIBITORS COMPRISING BENZHYDRIL SPACED FROM PIPERAZINE NEUROMED TECHNOLOGIES, INC. (CA) 2004-10-21 WO claimed
US-20080300262-A1 Combination Therapy for Relief of Pain ZALICUS PHARMACEUTICALS LTD. (CA) 2008-12-04 US disclosed
EP-1871372-A1 COMBINATION THERAPY COMPRISING AN N-TYPE CALCIUM CHANNEL BLOCKER FOR THE ALLEVIATION OF PAIN Neuromed Pharmaceuticals, Ltd. (CA) 2008-01-02 EP disclosed
WO-2006105670-A1 COMBINATION THERAPY COMPRISING AN N-TYPE CALCIUM CHANNEL BLOCKER FOR THE ALLEVIATION OF PAIN NEUROMED PHARMACEUTICALS LTD. (CA) 2006-10-12 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 (2 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-20040266784-A1 Calcium channel inhibitors comprising benzhydril spaced from piperazine CACNA1C, CACNA1F, CACNA1D KCNH2 42/4885SLC6A9 2126/4885SLC6A5 1014/4885
US-20080300262-A1 Combination Therapy for Relief of Pain CACNA1B, TRPV1, ORAI1 KCNH2 109/4885SLC6A9 2363/4885SLC6A5 2045/4885

“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.