SCHEMBL6083486

SCHEMBL6083486

CCn1cc(C2CCCC2C=O)c2cc(C#N)ccc21

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 11/20 0.59
HTR1A P08908 2/20 0.43
RORC P51449 1/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37
PFKFB3 Q16875 2/20 0.36
PFKFB2 O60825 1/20 0.36
PFKFB1 P16118 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
CYP19A1 P11511 1/20 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
SCHEMBL6083491 1.00 SLC6A4 (0.59) SLC6A4HTR1ARORCCNR1CNR2
SCHEMBL6084271 0.85 SLC6A4 (0.56) SLC6A4HTR1ARORCCNR1CNR2
SCHEMBL6084265 0.85 SLC6A4 (0.56) SLC6A4HTR1ARORCCNR1CNR2
SCHEMBL6085040 0.81 SLC6A4 (0.78) SLC6A4SLC6A2SLC6A3
SCHEMBL6085045 0.81 SLC6A4 (0.78) SLC6A4SLC6A2SLC6A3
SCHEMBL6799821 0.76 SLC6A4 (0.76) SLC6A4HTR1ARORCPTGDR2SLC6A2
SCHEMBL6635822 0.76 SLC6A4 (0.56) SLC6A4HTR1ARORCCNR1CNR2
SCHEMBL6088807 0.74 SLC6A4 (0.54) SLC6A4HTR1ARORCCNR1CNR2
SCHEMBL6087304 0.71 SLC6A4 (0.62) SLC6A4HTR1ARORCCNR1CNR2
SCHEMBL6088184 0.71 SLC6A4 (0.62) SLC6A4HTR1ARORCCNR1CNR2

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 3 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
WO-2004026237-A2 COMPOUNDS FOR THE TREATMENT OF PREMATURE EJACULATION BRISTOL-MYERS SQUIBB COMPANY (US) 2004-04-01 WO 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 12/4885HTR1A 17/4885RORC 2310/4885

“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.