SCHEMBL6083479

SCHEMBL6083479

Cn1cc(C#N)c2cc([C@@H]3CCC[C@H]3C=O)ccc21

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 9/20 0.64
IMPDH2 P12268 5/20 0.43
SLC6A2 P23975 3/20 0.36
SLC6A3 Q01959 2/20 0.36
XDH P47989 2/20 0.36
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL6083470 1.00 SLC6A4 (0.64) SLC6A4IMPDH2SLC6A2SLC6A3XDH
SCHEMBL6084082 0.78 SLC6A4 (1.00) SLC6A4IMPDH2SLC6A2SLC6A3
SCHEMBL6084079 0.78 SLC6A4 (1.00) SLC6A4IMPDH2SLC6A2SLC6A3
SCHEMBL6084265 0.76 SLC6A4 (0.56) SLC6A4SLC6A2SLC6A3
SCHEMBL6084271 0.76 SLC6A4 (0.56) SLC6A4SLC6A2SLC6A3
SCHEMBL6084473 0.76 SLC6A4 (0.60) SLC6A4IMPDH2SLC6A2XDH
SCHEMBL6084459 0.74 SLC6A4 (0.56) SLC6A4IMPDH2XDH
SCHEMBL6084452 0.74 SLC6A4 (0.56) SLC6A4IMPDH2XDH
SCHEMBL6084783 0.73 SLC6A4 (0.62) SLC6A4IMPDH2SLC6A2SLC6A3
SCHEMBL6084773 0.73 SLC6A4 (0.62) SLC6A4IMPDH2SLC6A2SLC6A3

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-7105516-B2 Compounds for the treatment of premature ejaculation BRISTOL-MYERS SQUIBB COMPANY (US) 2006-09-12 US disclosed
US-20040063768-A1 Compounds for the treatment of premature ejaculation BRISTOL-MYERS SQUIBB COMPANY 2004-04-01 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-20040063768-A1 Compounds for the treatment of premature ejaculation HTR5A, SLC18A2, CYP17A1 SLC6A4 12/4885IMPDH2 1866/4885SLC6A2 30/4885

“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.