SCHEMBL6085355

SCHEMBL6085355

COC(=O)C1(C(N)=O)CCCC1c1cn(C)c2ccc(C#N)cc12

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.42
RORC P51449 7/20 0.40
HTR1A P08908 1/20 0.36
HSD11B1 P28845 2/20 0.35
MTNR1A P48039 4/20 0.34
MTNR1B P49286 4/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
HTR3A P46098 1/20 0.34
KDM1A O60341 1/20 0.33
MCHR1 Q99705 1/20 0.33
ALDH1A1 P00352 1/20 0.33
DUSP3 P51452 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
SCHEMBL6084465 0.82 SLC6A4 (0.44) SLC6A4MTNR1AMTNR1B
SCHEMBL6084876 0.80 SLC6A4 (0.46) SLC6A4HTR1A
SCHEMBL6085340 0.69 SLC6A4 (0.48) SLC6A4RORCHTR1AMTNR1AMTNR1B
SCHEMBL6085348 0.69 SLC6A4 (0.48) SLC6A4RORCHTR1AMTNR1AMTNR1B
SCHEMBL6085361 0.68 SLC6A4 (0.53) SLC6A4RORCHTR1ACNR1CNR2
SCHEMBL6083843 0.67 SLC6A4 (0.46) SLC6A4MTNR1AMTNR1B
SCHEMBL6636075 0.67 SLC6A4 (0.53) SLC6A4RORCHTR1ACNR1CNR2
SCHEMBL6084265 0.66 SLC6A4 (0.56) SLC6A4RORCHTR1ACNR1CNR2
SCHEMBL6637786 0.66 SLC6A4 (0.50) SLC6A4RORCHTR1ACNR1CNR2
SCHEMBL6084271 0.66 SLC6A4 (0.56) SLC6A4RORCHTR1ACNR1CNR2

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 12/4885RORC 2310/4885HTR1A 17/4885

“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.