SCHEMBL6083569

SCHEMBL6083569

COC(=O)[C@H]1CCC[C@@H]1c1c[nH]c2ccc(C#N)cc12

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 19/20 0.61
SLC6A2 P23975 3/20 0.58
SLC6A3 Q01959 3/20 0.58
HTR1A P08908 1/20 0.47
DRD1 P21728 1/20 0.47
HTR1B P28222 1/20 0.47
HTR2A P28223 1/20 0.47
HTR6 P50406 1/20 0.47

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
SCHEMBL6083581 1.00 SLC6A4 (0.61) SLC6A4SLC6A2SLC6A3HTR1ADRD1
SCHEMBL6083574 1.00 SLC6A4 (0.61) SLC6A4SLC6A2SLC6A3HTR1ADRD1
SCHEMBL6083214 0.89 SLC6A4 (0.58) SLC6A4SLC6A2SLC6A3
SCHEMBL6882391 0.89 SLC6A4 (0.58) SLC6A4SLC6A2SLC6A3
SCHEMBL6083224 0.89 SLC6A4 (0.58) SLC6A4SLC6A2SLC6A3
SCHEMBL6083209 0.89 SLC6A4 (0.58) SLC6A4SLC6A2SLC6A3
SCHEMBL6085148 0.88 SLC6A4 (0.61) SLC6A4SLC6A2SLC6A3HTR1ADRD1
SCHEMBL6085141 0.88 SLC6A4 (0.61) SLC6A4SLC6A2SLC6A3HTR1ADRD1
SCHEMBL6083953 0.86 SLC6A4 (0.59) SLC6A4SLC6A2SLC6A3
SCHEMBL6084332 0.86 SLC6A4 (0.59) SLC6A4SLC6A2SLC6A3

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 12/4885SLC6A2 30/4885SLC6A3 6/4885

“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.