SCHEMBL6087658

SCHEMBL6087658

Cn1cc(C2CCC(N3CCCC3)C2)c2cc(C#N)ccc21

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 10/20 0.62
HTR1A P08908 6/20 0.57
RORC P51449 3/20 0.42
IRAK4 Q9NWZ3 1/20 0.41
DRD1 P21728 1/20 0.39
SLC6A2 P23975 1/20 0.39
HTR1B P28222 1/20 0.39
HTR2A P28223 1/20 0.39
HTR6 P50406 1/20 0.39
SLC6A3 Q01959 1/20 0.39

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
SCHEMBL6087772 0.99 SLC6A4 (0.63) SLC6A4HTR1ARORCIRAK4DRD1
SCHEMBL6088606 0.90 SLC6A4 (0.64) SLC6A4HTR1AIRAK4
SCHEMBL6087919 0.79 SLC6A4 (0.60) SLC6A4HTR1ARORCIRAK4DRD1
SCHEMBL6087601 0.79 SLC6A4 (0.60) SLC6A4HTR1ARORCDRD1SLC6A2
SCHEMBL6087738 0.77 SLC6A4 (1.00) SLC6A4HTR1ADRD1SLC6A2HTR1B
SCHEMBL6087393 0.76 SLC6A4 (0.62) SLC6A4HTR1ARORC
SCHEMBL6088870 0.76 SLC6A4 (0.62) SLC6A4HTR1ARORCDRD1SLC6A2
SCHEMBL6087082 0.76 SLC6A4 (1.00) SLC6A4HTR1ADRD1SLC6A2HTR1B
SCHEMBL6087254 0.76 SLC6A4 (0.62) SLC6A4HTR1ARORCDRD1SLC6A2
SCHEMBL6636075 0.75 SLC6A4 (0.53) SLC6A4HTR1ARORC

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7049314-B2 Sexual disorders; antidepressants; attention deficit hyperactivity, obsessive-compulsive, and/or post-traumatic stress disorder; drug abuse and addiction BRISTOL-MYERS SQUIBB COMPANY (US) 2006-05-23 US claimed
US-20040077705-A1 Cyclopentyl indole derivatives BRISTOL-MYERS SQUIBB COMPANY 2004-04-22 US claimed
WO-2004026236-A2 CYCLOPENTYL INDOLE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2004-04-01 WO claimed
US-7049314-B2 Sexual disorders; antidepressants; attention deficit hyperactivity, obsessive-compulsive, and/or post-traumatic stress disorder; drug abuse and addiction BRISTOL-MYERS SQUIBB COMPANY (US) 2006-05-23 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-20040077705-A1 Cyclopentyl indole derivatives HTR5A, TPH1, TPH2 SLC6A4 11/4885HTR1A 4/4885RORC 931/4885

“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.