SCHEMBL6087665

SCHEMBL6087665

O=C1CCC(c2c[nH]c3c(F)cccc23)C1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 9/20 0.54
IKBKB O14920 3/20 0.51
MPO P05164 7/20 0.44
GPR84 Q9NQS5 1/20 0.44
RIPK1 Q13546 1/20 0.40
OPRM1 P35372 2/20 0.36
OPRK1 P41145 2/20 0.36
OPRL1 P41146 2/20 0.36

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
SCHEMBL6086912 0.84 SLC6A4 (0.55) SLC6A4IKBKBRIPK1OPRM1OPRK1
SCHEMBL6087789 0.84 SLC6A4 (0.55) SLC6A4IKBKBOPRM1OPRK1OPRL1
SCHEMBL6087284 0.80 SLC6A4 (0.54) SLC6A4IKBKBGPR84
SCHEMBL1413420 0.79 HTR2C (0.58) IKBKB
SCHEMBL6812169 0.77 HTR2C (0.59) SLC6A4IKBKBMPOGPR84
SCHEMBL25253204 0.76 SLC6A4 (0.57) SLC6A4MPOGPR84
SCHEMBL12541089 0.76 HCAR2 (0.48) IKBKB
SCHEMBL12539973 0.76 HCAR2 (0.48) IKBKB
SCHEMBL12539971 0.76 HCAR2 (0.48) IKBKB
SCHEMBL6088026 0.74 IDO1 (0.56) SLC6A4OPRM1OPRK1OPRL1

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 11/4885IKBKB 320/4885MPO 1930/4885

“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.