SCHEMBL6087459

SCHEMBL6087459

CN(Cc1ccccc1)[C@@H]1CC[C@H](c2cn(C(=O)OC(C)(C)C)c3ccc(C#N)cc23)C1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 11/20 0.56
JAK2 O60674 1/20 0.45
JAK1 P23458 1/20 0.45
ABCB1 P08183 1/20 0.40
HTR6 P50406 2/20 0.37
HTR1A P08908 1/20 0.37
DRD1 P21728 1/20 0.37
SLC6A2 P23975 1/20 0.37
HTR1B P28222 1/20 0.37
HTR2A P28223 1/20 0.37
SLC6A3 Q01959 1/20 0.37
GPR119 Q8TDV5 1/20 0.36
TACR1 P25103 1/20 0.35
NR1H2 P55055 1/20 0.35
ACHE P22303 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34

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
SCHEMBL6088188 1.00 SLC6A4 (0.56) SLC6A4JAK2JAK1ABCB1HTR6
SCHEMBL6088196 1.00 SLC6A4 (0.56) SLC6A4JAK2JAK1ABCB1HTR6
SCHEMBL6087454 1.00 SLC6A4 (0.56) SLC6A4JAK2JAK1ABCB1HTR6
SCHEMBL6087457 1.00 SLC6A4 (0.56) SLC6A4JAK2JAK1ABCB1HTR6
SCHEMBL6088525 0.82 SLC6A4 (0.66) SLC6A4HTR6HTR1ADRD1SLC6A2
SCHEMBL6087735 0.80 SLC6A4 (0.64) SLC6A4HTR6HTR1ADRD1SLC6A2
SCHEMBL6087915 0.73 SLC6A4 (0.67) SLC6A4HTR6HTR1ADRD1SLC6A2
SCHEMBL6086982 0.72 SLC6A4 (1.00) SLC6A4HTR6HTR1ADRD1SLC6A2
SCHEMBL6087254 0.69 SLC6A4 (0.62) SLC6A4HTR6HTR1ADRD1SLC6A2
SCHEMBL587407 0.69 L3MBTL1 (0.53) HTR6GPR119ACHE

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-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
US-20040077705-A1 Cyclopentyl indole derivatives BRISTOL-MYERS SQUIBB COMPANY 2004-04-22 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 11/4885JAK2 2854/4885JAK1 2372/4885

“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.