SCHEMBL6917827

SCHEMBL6917827

CC(CC1C=Nc2ccccc21)(NC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)NC(c1ccccn1)C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NMBR P28336 10/20 0.41
GRPR P30550 9/20 0.41
FPR1 P21462 2/20 0.41
AGTR1 P30556 1/20 0.41
GPR65 Q8IYL9 1/20 0.41
KDR P35968 2/20 0.40
EPHX1 P07099 1/20 0.38
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
GRM4 Q14833 1/20 0.34
USP30 Q70CQ3 1/20 0.34
EPHX2 P34913 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PGR P06401 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
SCHEMBL6180744 0.83 NMBR (0.48) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL6179976 0.79 NMBR (0.65) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL6254953 0.70 NMBR (0.49) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL6181113 0.69 NMBR (0.53) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL7192683 0.69 NMBR (0.67) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL6250491 0.69 NMBR (0.52) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL6254317 0.68 NMBR (0.50) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL6184335 0.67 NMBR (0.64) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL7193534 0.67 NMBR (0.49) NMBRGRPRFPR1AGTR1GPR65
SCHEMBL6253551 0.67 NMBR (0.49) 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 199/4885FPR1 632/4885

“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.