SCHEMBL6808255

SCHEMBL6808255

NC(=O)c1ccc2c(C3=CCN(C(=O)O)CC3)cccc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 8/20 0.48
HTR1B P28222 6/20 0.48
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.39
PDK4 Q16654 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPC1 O15118 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTR1A P08908 1/20 0.35
PTPN1 P18031 1/20 0.35
DRD2 P14416 1/20 0.35
ADRA1D P25100 1/20 0.35
SLC6A4 P31645 1/20 0.35
ADRA1A P35348 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
SCHEMBL6811252 0.84 PDK4 (0.57) HTR1DHTR1BPDK4
SCHEMBL6812374 0.83 MAPT (0.44) HTR1DHTR1BALDH1A1KDM4EMAPT
SCHEMBL6711077 0.82 ALDH1A1 (0.56) HTR1DHTR1BALDH1A1KDM4EMAPT
SCHEMBL6527124 0.74 LMNA (0.47) ALDH1A1KDM4EMAPTHPGDPDK4
SCHEMBL19284582 0.73 PDK4 (0.56) PDK4
SCHEMBL29029578 0.71 ALDH1A1 (0.41) ALDH1A1KDM4EMAPTHPGDPDK4
SCHEMBL29029622 0.71 ALDH1A1 (0.41) ALDH1A1KDM4EMAPTHPGDPDK4
SCHEMBL20740133 0.71 MAPT (0.47) KDM4EMAPTMEN1KMT2ANPC1
SCHEMBL28744219 0.71 KEAP1 (0.42) ALDH1A1KDM4EMAPTPDK4MEN1
SCHEMBL989175 0.71 HDAC8 (0.47) ALDH1A1KDM4EMAPTHPGDNPC1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040122001-A1 Pharmaceutical compounds ELI LILLY AND COMPANY 2004-06-24 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-20040122001-A1 Pharmaceutical compounds CYP2D6, LPXN, CYP1B1 HTR1D 124/4885HTR1B 373/4885ALDH1A1 1563/4885

“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.