SCHEMBL6552180

SCHEMBL6552180

NC(=O)c1cc2c(s1)C(CCO)OCC2

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 6/20 0.40
NOTUM Q6P988 4/20 0.39
PNMT P11086 1/20 0.38
HTR1D P28221 6/20 0.31
HTR1B P28222 2/20 0.31
DRD2 P14416 4/20 0.31
HTR1A P08908 3/20 0.31
HTR7 P34969 1/20 0.31
RAB9A P51151 2/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HTR2A P28223 3/20 0.30
DRD4 P21917 1/20 0.30

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
SCHEMBL6552783 0.80 TAAR1 (0.33) TAAR1NOTUMPNMTHTR1DDRD2
SCHEMBL6794127 0.80 PNMT (0.40) TAAR1NOTUMPNMTHTR1DHTR1B
SCHEMBL6552125 0.70 DRD2 (0.38) TAAR1HTR1DDRD2
SCHEMBL6553053 0.70 DRD2 (0.45) TAAR1HTR1DDRD2
SCHEMBL6552940 0.70 DRD2 (0.36) TAAR1HTR1DDRD2
SCHEMBL6812048 0.69 HTR1D (0.56) HTR1DHTR1BDRD2HTR1AHTR2A
SCHEMBL5093578 0.69 HTR1D (0.56) HTR1DHTR1BDRD2HTR1AHTR2A
SCHEMBL6551697 0.69 TAAR1 (0.72) TAAR1DRD2HTR1AHTR7
SCHEMBL6808456 0.69 HTR1D (0.39) HTR1DHTR1BDRD2HTR1AHTR2A
SCHEMBL6811406 0.68 HTR1D (0.39) HTR1DHTR1BDRD2HTR1AHTR2A

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
EP-1409476-B1 PHARMACEUTICAL COMPOUNDS WITH SEROTONIN RECEPTOR ACTIVITY LILLY CO ELI (US) 2004-12-15 EP disclosed
US-20040180883-A1 Pharmaceutical compounds with serotonin receptor activity GILMORE JEREMY (GB) 2004-09-16 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-20040180883-A1 Pharmaceutical compounds with serotonin receptor activity HTR1A, HTR5A, HTR1E TAAR1 150/4885NOTUM 2325/4885PNMT 152/4885

“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.