SCHEMBL5077519

SCHEMBL5077519

O=C(CCCCC(c1ccc(F)cc1)c1ccc(F)cc1)N1CCN(CCNc2ccccc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 4/20 0.67
HTR2A P28223 4/20 0.67
ADRA1A P35348 4/20 0.67
HRH1 P35367 4/20 0.67
DRD3 P35462 4/20 0.67
OPRK1 P41145 4/20 0.67
SLC6A3 Q01959 4/20 0.67
CACNA1F O60840 3/20 0.67
DRD4 P21917 3/20 0.67
DRD5 P21918 3/20 0.67
HRH2 P25021 3/20 0.67
ADRA1D P25100 3/20 0.67
ADRA1B P35368 3/20 0.67
OPRM1 P35372 3/20 0.67
HTR6 P50406 3/20 0.67
CACNA1D Q01668 3/20 0.67
CACNA1S Q13698 3/20 0.67
CACNA1C Q13936 3/20 0.67
OPRD1 P41143 3/20 0.67
HTR2C P28335 2/20 0.67

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
SCHEMBL5076783 0.87 CACNA1F (0.70) HTR7HTR2AADRA1AHRH1DRD3
SCHEMBL5076191 0.84 CACNA1F (0.67) HTR7HTR2AADRA1AHRH1DRD3
SCHEMBL5023656 0.84 SCN5A (0.56) HTR7HTR2AADRA1AHRH1DRD3
Difluanine SCHEMBL1813120 0.84 SCN5A (0.59) HTR7HTR2AADRA1AHRH1DRD3
Difluanine SCHEMBL28172554 0.83 SCN5A (0.57) HTR7HTR2AADRA1AHRH1DRD3
Difluanine SCHEMBL124263 0.83 SCN5A (0.57) HTR7HTR2AADRA1AHRH1DRD3
SCHEMBL5074793 0.82 HTR7 (0.66) HTR7HTR2AADRA1AHRH1DRD3
SCHEMBL5077507 0.82 CACNA1F (0.66) HTR7HTR2AADRA1AHRH1DRD3
SCHEMBL5080775 0.80 CACNA1F (0.61) HTR7HTR2AADRA1AHRH1DRD3
SCHEMBL5017480 0.80 SLC6A3 (0.61) HTR7HTR2AADRA1AHRH1DRD3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040266784-A1 Calcium channel inhibitors comprising benzhydril spaced from piperazine ZALICUS PHARMACEUTICALS LTD. (CA) 2004-12-30 US claimed
US-20080300262-A1 Combination Therapy for Relief of Pain ZALICUS PHARMACEUTICALS LTD. (CA) 2008-12-04 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 (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 HTR7 610/4885HTR2A 372/4885ADRA1A 1698/4885
US-20080300262-A1 Combination Therapy for Relief of Pain CACNA1B, TRPV1, ORAI1 HTR7 969/4885HTR2A 429/4885ADRA1A 485/4885

“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.