SCHEMBL6862683

SCHEMBL6862683

NCC1COc2ccc3[nH]c(=O)oc3c2O1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.36
HTR1A P08908 9/20 0.34
DRD2 P14416 9/20 0.34
HTR2A P28223 5/20 0.34
HTR2C P28335 5/20 0.34
HTR2B P41595 5/20 0.34
MTNR1A P48039 1/20 0.32
CA1 P00915 1/20 0.32

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
Hydrochloric Acid SCHEMBL6862505 0.99 CA2 (0.35) CA2HTR1ADRD2HTR2AHTR2C
SCHEMBL6860665 0.78 DRD2 (0.53) HTR1ADRD2HTR2AHTR2CHTR2B
SCHEMBL6322438 0.78 DRD2 (0.41) CA2HTR1ADRD2HTR2AHTR2C
SCHEMBL6855950 0.78 DRD2 (0.39) CA2HTR1ADRD2HTR2AHTR2C
SCHEMBL6862882 0.75 LMNA (0.40) CA2HTR1ADRD2HTR2AHTR2C
SCHEMBL6861792 0.75 LMNA (0.40) CA2HTR1ADRD2HTR2AHTR2C
SCHEMBL6861375 0.74 ALDH1A1 (0.61) HTR1ADRD2HTR2AHTR2CHTR2B
SCHEMBL6862467 0.73 KDM4E (0.40) DRD2HTR2A
SCHEMBL6199543 0.70 HTR1A (0.36) CA2HTR1ADRD2
SCHEMBL6774282 0.70 HTR1A (0.32) CA2HTR1ADRD2HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6800648-B2 SCHIZOPHRENIA, BIPOLAR DISORDERS, PARKINSON'S DISEASE; DRUG ABRUSE WYETH 2004-10-05 US claimed
US-20030073697-A1 Antipsychotic aminomethyl derivatives of 7,8-dihydro-3H-1,6,9-trioxa-3-AZA-cyclopenta[a]naphthalen-2-one WYETH 2003-04-17 US claimed
WO-2002088142-A1 ANTIPSYCHOTIC AMINOMETHYL DERIVATIVES OF 7,8-DIHYDRO-3H-1,6,9-TRIOXA-3-AZA-CYCLOPENTA[a]NAPHTHALEN-2-ONE WYETH (US) 2002-11-07 WO claimed
US-6800648-B2 SCHIZOPHRENIA, BIPOLAR DISORDERS, PARKINSON'S DISEASE; DRUG ABRUSE WYETH 2004-10-05 US disclosed
US-20030073697-A1 Antipsychotic aminomethyl derivatives of 7,8-dihydro-3H-1,6,9-trioxa-3-AZA-cyclopenta[a]naphthalen-2-one WYETH 2003-04-17 US disclosed
WO-2002088142-A1 ANTIPSYCHOTIC AMINOMETHYL DERIVATIVES OF 7,8-DIHYDRO-3H-1,6,9-TRIOXA-3-AZA-CYCLOPENTA[a]NAPHTHALEN-2-ONE WYETH (US) 2002-11-07 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-20030073697-A1 Antipsychotic aminomethyl derivatives of 7,8-dihydro-3H-1,6,9-trioxa-3-AZA-cyclopenta[a]naphthalen-2-one SNCA, TUBA1C, SLC6A3 CA2 4498/4885HTR1A 20/4885DRD2 31/4885

“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.