SCHEMBL6816748

SCHEMBL6816748

N#Cc1ccc2c(C3CCN(C(=O)O)CC3)cccc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 7/20 0.48
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
IDO1 P14902 2/20 0.41
TDO2 P48775 2/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
SCD5 Q86SK9 2/20 0.40
RBP4 P02753 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
FASN P49327 2/20 0.39
NOTUM Q6P988 1/20 0.39
HTR1A P08908 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
SLC9A1 P19634 2/20 0.39
CYP2C19 P33261 2/20 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
SCHEMBL6808688 0.83 GPR119 (0.51) SLC6A4SLC6A2SLC6A3
SCHEMBL6810820 0.81 IDO1 (0.45) SLC6A4IDO1PTGDR2HRH3SCD5
SCHEMBL28805535 0.80 HRH3 (0.56) SLC6A4HRH3RBP4HTR1DHTR1B
SCHEMBL6812102 0.79 HTR1D (0.50) SLC6A4SLC6A3HRH3RBP4HTR1D
SCHEMBL6811067 0.78 SLC6A4 (0.52) SLC6A4SLC6A2SLC6A3CA1CA2
SCHEMBL17672817 0.77 PTGDR2 (0.46) IDO1TDO2PTGDR2SCD5RBP4
SCHEMBL21061189 0.76 IDO1 (0.66) IDO1TDO2PTGDR2CYP2C9
SCHEMBL6357136 0.75 SLC6A4 (0.58) SLC6A4SLC6A2SLC6A3HTR1AHTR1B
SCHEMBL20141858 0.74 DRD4 (0.48) SCD5RBP4CYP3A4CYP2C9SLC9A1
SCHEMBL12488646 0.73 SCD5 (0.53) SCD5FASN

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-20040122001-A1 Pharmaceutical compounds ELI LILLY AND COMPANY 2004-06-24 US disclosed
EP-1345930-A2 PHARMACEUTICAL COMPOUNDS ELI LILLY AND COMPANY (US) 2003-09-24 EP disclosed
WO-2002050067-A2 PHARMACEUTICAL HETEROCYCLIC COMPOUNDS ELI LILLY AND COMPANY (US) 2002-06-27 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-20040122001-A1 Pharmaceutical compounds CYP2D6, LPXN, CYP1B1 SLC6A4 1958/4885SLC6A2 2418/4885SLC6A3 3425/4885

“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.