SCHEMBL6551697

SCHEMBL6551697

OCCC1OCCc2ccsc21

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 11/20 0.72
HTR1A P08908 1/20 0.61
DRD2 P14416 1/20 0.61
HTR7 P34969 1/20 0.61
KEAP1 Q14145 1/20 0.41

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
SCHEMBL28945875 0.87 TAAR1 (0.77) TAAR1HTR1ADRD2HTR7KEAP1
SCHEMBL28964100 0.85 TAAR1 (0.74) TAAR1HTR1ADRD2HTR7KEAP1
SCHEMBL14903761 0.84 TAAR1 (1.00) TAAR1HTR1ADRD2HTR7KEAP1
SCHEMBL2042943 0.84 TAAR1 (1.00) TAAR1HTR1ADRD2HTR7KEAP1
SCHEMBL14903760 0.81 TAAR1 (0.76) TAAR1HTR1ADRD2HTR7KEAP1
SCHEMBL2037558 0.81 TAAR1 (0.76) TAAR1HTR1ADRD2HTR7KEAP1
Hydrochloric Acid SCHEMBL28514686 0.80 TAAR1 (0.74) TAAR1HTR1ADRD2HTR7KEAP1
SCHEMBL14903730 0.80 TAAR1 (1.00) TAAR1HTR1ADRD2HTR7KEAP1
SCHEMBL14903739 0.80 TAAR1 (1.00) TAAR1HTR1ADRD2HTR7KEAP1
SCHEMBL21282227 0.80 TAAR1 (0.71) TAAR1HTR1ADRD2HTR7KEAP1

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 4 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
EP-1409476-A1 PHARMACEUTICAL COMPOUNDS WITH SEROTONIN RECEPTOR ACTIVITY ELI LILLY AND COMPANY (US) 2004-04-21 EP disclosed
WO-2003006455-A1 PHARMACEUTICAL COMPOUNDS WITH SEROTONIN RECEPTOR ACTIVITY ELI LILLY AND COMPANY (US) 2003-01-23 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-20040180883-A1 Pharmaceutical compounds with serotonin receptor activity HTR1A, HTR5A, HTR1E TAAR1 150/4885HTR1A 1/4885DRD2 70/4885

“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.