SCHEMBL6090770

SCHEMBL6090770

CCCNC1CCC(c2cn(C)c3ccc(C#N)cc23)C1

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 10/20 0.63
HTR1A P08908 3/20 0.44
MCHR1 Q99705 2/20 0.42
DRD2 P14416 1/20 0.42
RORC P51449 3/20 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
SCHEMBL6087393 0.91 SLC6A4 (0.62) SLC6A4HTR1AMCHR1DRD2RORC
SCHEMBL6087666 0.87 SLC6A4 (0.65) SLC6A4HTR1AMCHR1DRD2RORC
SCHEMBL6087601 0.85 SLC6A4 (0.60) SLC6A4HTR1AMCHR1RORC
SCHEMBL6087604 0.85 SLC6A4 (0.63) SLC6A4HTR1AMCHR1RORC
SCHEMBL6087878 0.79 SLC6A4 (0.53) SLC6A4HTR1ADRD2RORC
SCHEMBL6088870 0.78 SLC6A4 (0.62) SLC6A4HTR1ADRD2RORC
SCHEMBL6087952 0.77 SLC6A4 (1.00) SLC6A4HTR1A
SCHEMBL6087254 0.77 SLC6A4 (0.62) SLC6A4HTR1ADRD2RORC
SCHEMBL6087919 0.77 SLC6A4 (0.60) SLC6A4HTR1ARORC
SCHEMBL6087658 0.75 SLC6A4 (0.62) 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 4/4885MCHR1 188/4885

“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.