SCHEMBL6085340

SCHEMBL6085340

COCNC(=O)[C@H]1CCC[C@@H]1c1cn(C)c2ccc(C#N)cc12

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.48
RORC P51449 4/20 0.39
MTNR1B P49286 6/20 0.38
MTNR1A P48039 5/20 0.38
CTSK P43235 2/20 0.36
MCHR1 Q99705 1/20 0.36
CTSS P25774 1/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
HTR1A P08908 1/20 0.35
HTR3A P46098 1/20 0.35

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
SCHEMBL6085348 1.00 SLC6A4 (0.48) SLC6A4RORCMTNR1BMTNR1ACTSK
SCHEMBL6084459 0.81 SLC6A4 (0.56) SLC6A4MTNR1BMTNR1A
SCHEMBL6084452 0.81 SLC6A4 (0.56) SLC6A4MTNR1BMTNR1A
SCHEMBL6085361 0.81 SLC6A4 (0.53) SLC6A4RORCMCHR1CNR1CNR2
SCHEMBL6084863 0.80 SLC6A4 (0.57) SLC6A4
SCHEMBL6084870 0.80 SLC6A4 (0.57) SLC6A4
SCHEMBL6084265 0.74 SLC6A4 (0.56) SLC6A4RORCCNR1CNR2HTR1A
SCHEMBL6084271 0.74 SLC6A4 (0.56) SLC6A4RORCCNR1CNR2HTR1A
SCHEMBL6084557 0.72 SLC6A4 (0.78) SLC6A4
SCHEMBL6084548 0.72 SLC6A4 (0.78) SLC6A4

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 2310/4885MTNR1B 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.