SCHEMBL6088807

SCHEMBL6088807

CCn1cc(C2CCC(=O)C2)c2cc(C#N)ccc21

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.54
HTR1A P08908 4/20 0.50
RORC P51449 1/20 0.43
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
CYP19A1 P11511 1/20 0.38
PFKFB3 Q16875 4/20 0.36
PFKFB1 P16118 2/20 0.36
KDM1A O60341 1/20 0.36
PGR P06401 2/20 0.35
NR3C1 P04150 1/20 0.35
NR3C2 P08235 1/20 0.35
AR P10275 1/20 0.35
PFKFB2 O60825 1/20 0.35

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
SCHEMBL6635822 0.93 SLC6A4 (0.56) SLC6A4HTR1ARORCCNR1CNR2
SCHEMBL3886520 0.85 SLC6A4 (0.51) SLC6A4HTR1ARORCCNR1CNR2
SCHEMBL6637096 0.84 HTR1A (0.53) SLC6A4HTR1ARORCCNR1CNR2
SCHEMBL7972314 0.82 SLC6A4 (0.44) SLC6A4HTR1ARORCCNR1CNR2
SCHEMBL6636440 0.78 SMO (0.54) SLC6A4HTR1ACNR2PTGDR2
SCHEMBL6636075 0.77 SLC6A4 (0.53) SLC6A4HTR1ARORCCNR1CNR2
SCHEMBL6087259 0.76 SLC6A4 (0.62) SLC6A4HTR1ARORCCNR1CNR2
SCHEMBL6088184 0.76 SLC6A4 (0.62) SLC6A4HTR1ARORCCNR1CNR2
SCHEMBL6087846 0.76 SLC6A4 (0.62) SLC6A4HTR1ARORCCNR1CNR2
SCHEMBL6087263 0.76 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-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
WO-2004026236-A2 CYCLOPENTYL INDOLE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2004-04-01 WO 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.