SCHEMBL6860665

SCHEMBL6860665

O=c1[nH]c2ccc3c(c2o1)OC(CNCc1ccccc1)CO3

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.53
DRD4 P21917 8/20 0.53
DRD3 P35462 8/20 0.53
HTR1A P08908 2/20 0.48
HTR2A P28223 2/20 0.48
HTR2C P28335 2/20 0.48
HTR2B P41595 2/20 0.48
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 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
SCHEMBL6861375 0.86 ALDH1A1 (0.61) DRD2DRD4DRD3HTR1AHTR2A
SCHEMBL6320521 0.83 DRD2 (0.67) DRD2DRD4DRD3HTR1AHTR2A
SCHEMBL6855950 0.81 DRD2 (0.39) DRD2DRD4DRD3HTR1AHTR2A
SCHEMBL6862683 0.78 CA2 (0.36) DRD2HTR1AHTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL6862505 0.77 CA2 (0.35) DRD2HTR1AHTR2AHTR2CHTR2B
SCHEMBL5957062 0.77 DRD2 (0.52) DRD2DRD4DRD3HTR1AHTR2A
Aplindore SCHEMBL119499 0.76 DRD2 (0.68) DRD2DRD4DRD3HTR2AHTR2B
Aplindore SCHEMBL29359212 0.76 DRD2 (0.68) DRD2DRD4DRD3HTR2AHTR2B
Aplindore SCHEMBL3192098 0.76 DRD2 (0.68) DRD2DRD4DRD3HTR2AHTR2B
SCHEMBL7411476 0.76 DRD2 (0.54) DRD2DRD4DRD3HTR1AHTR2A

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 DRD2 31/4885DRD4 99/4885DRD3 38/4885

“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.