SCHEMBL6084459

SCHEMBL6084459

COCNC(=O)[C@@H]1CCC[C@H]1c1ccc2c(c1)c(C#N)cn2C

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.56
CHRNA7 P36544 1/20 0.39
MTNR1B P49286 6/20 0.38
MTNR1A P48039 5/20 0.38
IMPDH2 P12268 2/20 0.36
XDH P47989 1/20 0.36
PFKFB3 Q16875 7/20 0.36
PFKFB1 P16118 6/20 0.36
PFKFB2 O60825 4/20 0.36

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
SCHEMBL6084452 1.00 SLC6A4 (0.56) SLC6A4CHRNA7MTNR1BMTNR1AIMPDH2
SCHEMBL6085340 0.81 SLC6A4 (0.48) SLC6A4MTNR1BMTNR1A
SCHEMBL6085348 0.81 SLC6A4 (0.48) SLC6A4MTNR1BMTNR1A
SCHEMBL6084473 0.81 SLC6A4 (0.60) SLC6A4CHRNA7IMPDH2XDHPFKFB3
SCHEMBL6083828 0.80 SLC6A4 (0.57) SLC6A4MTNR1BMTNR1APFKFB3PFKFB1
SCHEMBL6083831 0.80 SLC6A4 (0.57) SLC6A4MTNR1BMTNR1APFKFB3PFKFB1
SCHEMBL6083479 0.74 SLC6A4 (0.64) SLC6A4IMPDH2XDH
SCHEMBL6083470 0.74 SLC6A4 (0.64) SLC6A4IMPDH2XDH
SCHEMBL6084082 0.72 SLC6A4 (1.00) SLC6A4IMPDH2
SCHEMBL6084079 0.72 SLC6A4 (1.00) SLC6A4IMPDH2

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 12/4885CHRNA7 1213/4885MTNR1B 1285/4885

“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.