Sugi Predict

Sugi Predict / Compounds / SCHEMBL6861375

SCHEMBL6861375

SCHEMBL6861375

O=c1[nH]c2ccc3c(c2o1)OC(CNCCCCc1ccccc1)CO3

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.61
▸ DRD2 P14416 4/20 0.60
▸ HTR1A P08908 2/20 0.60
▸ HTR2A P28223 2/20 0.60
▸ HTR2C P28335 2/20 0.60
▸ HTR2B P41595 2/20 0.60
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ DRD4 P21917 2/20 0.39
▸ DRD3 P35462 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ ESR2 Q92731 1/20 0.38

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
SCHEMBL6860665 0.86 DRD2 (0.53) ALDH1A1DRD2HTR1AHTR2AHTR2C
SCHEMBL6323288 0.85 ALDH1A1 (0.60) ALDH1A1DRD2HTR1AHTR2AHTR2C
SCHEMBL5957113 0.78 ALDH1A1 (0.59) ALDH1A1DRD2HTR1AHTR2AHTR2C
SCHEMBL6865803 0.78 DRD2 (0.55) ALDH1A1DRD2HTR1AHTR2AHTR2C
SCHEMBL6855950 0.77 DRD2 (0.39) ALDH1A1DRD2HTR1AHTR2AHTR2C
SCHEMBL6862683 0.74 CA2 (0.36) DRD2HTR1AHTR2AHTR2CHTR2B
SCHEMBL6800429 0.74 ALDH1A1 (0.61) ALDH1A1DRD2HTR1AHTR2AHTR2C
SCHEMBL5957055 0.72 ALDH1A1 (0.55) ALDH1A1DRD2HTR1AHTR2AHTR2C
SCHEMBL6320521 0.71 DRD2 (0.67) ALDH1A1DRD2HTR1AHTR2AHTR2C
SCHEMBL8890842 0.68 SMN1; SMN2 (0.84) ALDH1A1DRD2HTR1ASMN1; SMN2CYP1A2

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 ALDH1A1 1985/4885DRD2 31/4885HTR1A 20/4885

“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.