SCHEMBL6087601

SCHEMBL6087601

CNC1CCC(c2cn(C)c3ccc(C#N)cc23)C1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 13/20 0.60
HTR1A P08908 3/20 0.47
RORC P51449 3/20 0.41
MCHR1 Q99705 1/20 0.39
AURKA O14965 1/20 0.39
JAK2 O60674 1/20 0.39
PAK4 O96013 1/20 0.39
ABL1 P00519 1/20 0.39
NTRK1 P04629 1/20 0.39
LCK P06239 1/20 0.39
FYN P06241 1/20 0.39
CSF1R P07333 1/20 0.39
RET P07949 1/20 0.39
IGF1R P08069 1/20 0.39
MET P08581 1/20 0.39
PDGFRB P09619 1/20 0.39
PIM1 P11309 1/20 0.39
FGFR1 P11362 1/20 0.39
PRKACA P17612 1/20 0.39
FLT3 P36888 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
SCHEMBL6087393 0.87 SLC6A4 (0.62) SLC6A4HTR1ARORCMCHR1
SCHEMBL6090770 0.85 SLC6A4 (0.63) SLC6A4HTR1ARORCMCHR1
SCHEMBL6087604 0.83 SLC6A4 (0.63) SLC6A4HTR1ARORCMCHR1
SCHEMBL6087666 0.81 SLC6A4 (0.65) SLC6A4HTR1ARORCMCHR1JAK2
SCHEMBL6087919 0.81 SLC6A4 (0.60) SLC6A4HTR1ARORCDRD1SLC6A2
SCHEMBL6087658 0.79 SLC6A4 (0.62) SLC6A4HTR1ARORCDRD1SLC6A2
SCHEMBL6087772 0.78 SLC6A4 (0.63) SLC6A4HTR1ARORCDRD1SLC6A2
SCHEMBL6088870 0.78 SLC6A4 (0.62) SLC6A4HTR1ARORCDRD1SLC6A2
SCHEMBL6087254 0.77 SLC6A4 (0.62) SLC6A4HTR1ARORCDRD1SLC6A2
SCHEMBL6636075 0.77 SLC6A4 (0.53) SLC6A4HTR1ARORCAURKAJAK2

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.