SCHEMBL6772155

SCHEMBL6772155

O=C(O)C1=C(CBr)NC(=O)N(C(=O)Oc2ccc([N+](=O)[O-])cc2)C1c1ccc(F)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 2/20 0.39
CACNA1D Q01668 2/20 0.39
CACNA1S Q13698 2/20 0.39
CACNA1C Q13936 2/20 0.39
ADRA1D P25100 6/20 0.37
ADRA1A P35348 6/20 0.37
ADRA1B P35368 6/20 0.37
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MGLL Q99685 2/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL6772145 1.00 CACNA1F (0.39) CACNA1FCACNA1DCACNA1SCACNA1CADRA1D
SCHEMBL6198625 0.91 ADRA1D (0.45) CACNA1FCACNA1DCACNA1SCACNA1CADRA1D
SCHEMBL6196834 0.82 ADRA1D (0.51) ADRA1DADRA1AADRA1B
SCHEMBL7674379 0.82 ADRA1D (0.51) ADRA1DADRA1AADRA1B
SCHEMBL6715576 0.81 CACNA1F (0.48) CACNA1FCACNA1DCACNA1SCACNA1CADRA1D
SCHEMBL6898111 0.80 CACNA1F (0.48) CACNA1FCACNA1DCACNA1SCACNA1CADRA1D
SCHEMBL7162576 0.79 ADRA1D (0.54) CACNA1FCACNA1DCACNA1SCACNA1CADRA1D
SCHEMBL6193641 0.79 ADRA1D (0.54) CACNA1FCACNA1DCACNA1SCACNA1CADRA1D
SCHEMBL6715316 0.78 CACNA1F (0.44) CACNA1FCACNA1DCACNA1SCACNA1CADRA1D
SCHEMBL6214417 0.78 ADRA1D (0.38) CACNA1FCACNA1DCACNA1SCACNA1CADRA1D

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-6720324-B2 THERAPY FOR EATING DISORDERS, SEXUAL DISORDERS, PSYCHOLOGICAL DISORDERS SYNAPTIC PHARMACEUTICAL CORPORATION 2004-04-13 US disclosed
US-20030069261-A1 Selective melanin concentrating hormone-1 (MCH1) receptor antagonists and uses thereof H. LUNDBECK A/S (DK) 2003-04-10 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-20030069261-A1 Selective melanin concentrating hormone-1 (MCH1) receptor antagonists and uses thereof MCHR1, MCHR2, MC4R CACNA1F 4253/4885CACNA1D 3141/4885CACNA1S 3461/4885

“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.