SCHEMBL6502167

SCHEMBL6502167

CC1C=C(c2c[nH]c3cc(F)ccc23)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 14/20 0.45
SLC6A4 P31645 2/20 0.41
OPRL1 P41146 1/20 0.41
DRD2 P14416 2/20 0.39
HTR2A P28223 1/20 0.39
ADRA1D P25100 1/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38

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
SCHEMBL6503216 0.86 TDO2 (0.50) TDO2SLC6A4OPRL1DRD2HTR2A
SCHEMBL6492149 0.81 TDO2 (0.46) TDO2SLC6A4OPRL1DRD2HTR2A
SCHEMBL4878519 0.80 TDO2 (0.57) TDO2SLC6A4OPRL1DRD2HTR2A
SCHEMBL20111756 0.77 HTR2A (0.46) SLC6A4HTR2AADRA1DADRA1AADRA1B
SCHEMBL18129577 0.75 JAK2 (0.38) TDO2SLC6A4
SCHEMBL6334848 0.73 GYS1 (0.34)
SCHEMBL6340611 0.73 LMNA (0.33) DRD2HTR2AHTR1DHTR1B
SCHEMBL6339270 0.72 GYS1 (0.37) HTR1D
SCHEMBL820521 0.72 GPR84 (0.41) SLC6A4DRD2HTR2A
SCHEMBL7090614 0.72 DRD2 (0.49) SLC6A4OPRL1DRD2HTR2AADRA1D

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-6844338-B2 Piperidyindoles as serotonin receptor ligands ELI LILLY AND COMPANY (US) 2005-01-18 US disclosed
US-20030225068-A1 Piperidyindoles as serotonin receptor ligands ELI LILLY AND COMPANY 2003-12-04 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-20030225068-A1 Piperidyindoles as serotonin receptor ligands CNR1, HTR1D, HTR1A TDO2 1463/4885SLC6A4 215/4885OPRL1 32/4885

“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.