SCHEMBL6810079

SCHEMBL6810079

O=C(NCC1(c2ccccn2)CCCCC1)[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)Cc1ccccc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NMBR P28336 10/20 0.58
GRPR P30550 9/20 0.58
FPR2 P25090 6/20 0.57
FPR1 P21462 5/20 0.57
AGTR1 P30556 1/20 0.52
GPR65 Q8IYL9 1/20 0.52
KMT2A Q03164 1/20 0.48

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
SCHEMBL6250674 0.82 NMBR (0.74) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL7204980 0.79 FPR2 (0.66) NMBRGRPRFPR2FPR1AGTR1
SCHEMBL6251919 0.76 NMBR (0.81) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL6250536 0.73 NMBR (0.81) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL6250520 0.72 NMBR (0.72) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL6257020 0.72 NMBR (0.66) NMBRGRPRFPR2FPR1AGTR1
SCHEMBL6810799 0.72 NMBR (0.72) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL6204273 0.71 NR3C1 (0.57)
SCHEMBL6252169 0.71 NMBR (0.72) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL6251879 0.70 NMBR (0.79) NMBRGRPRFPR1AGTR1GPR65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040087561-A1 Treatment of sexual dysfunction WARNER-LAMBERT COMPANY LLC 2004-05-06 US claimed

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-20040087561-A1 Treatment of sexual dysfunction BRS3, MME, ECE1 NMBR 258/4885GRPR 199/4885FPR2 906/4885

“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.