SCHEMBL6862712

SCHEMBL6862712

O=c1[nH]c2ccc3c(c2o1)OC(CN1CC=C(c2c[nH]c4ccccc24)CC1)CO3

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 12/20 0.65
SLC6A4 P31645 3/20 0.65
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
ALOX15 P16050 1/20 0.48
DRD2 P14416 6/20 0.48
HTR2A P28223 4/20 0.48
HTT P42858 1/20 0.47
DRD1 P21728 1/20 0.44
DRD3 P35462 1/20 0.44

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
SCHEMBL6628542 0.85 HTR1A (0.72) HTR1ASLC6A4KDM4ELMNAALOX15
SCHEMBL6847481 0.84 HTR1A (0.78) HTR1ASLC6A4KDM4ELMNAALOX15
SCHEMBL6626218 0.84 HTR1A (0.70) HTR1ASLC6A4KDM4ELMNAALOX15
SCHEMBL6335373 0.84 HTR1A (0.65) HTR1ASLC6A4KDM4ELMNAALOX15
SCHEMBL6628788 0.84 HTR1A (0.72) HTR1ASLC6A4KDM4ELMNAALOX15
SCHEMBL6843634 0.84 HTR1A (0.72) HTR1ASLC6A4KDM4ELMNAALOX15
SCHEMBL6628786 0.83 HTR1A (0.69) HTR1ASLC6A4KDM4ELMNAALOX15
SCHEMBL5844673 0.83 HTR1A (0.69) HTR1ASLC6A4KDM4ELMNAALOX15
SCHEMBL6767324 0.83 HTR1A (0.71) HTR1ASLC6A4KDM4ELMNAALOX15
SCHEMBL6627811 0.82 HTR1A (0.68) HTR1ASLC6A4KDM4ELMNAALOX15

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 HTR1A 20/4885SLC6A4 236/4885KDM4E 2861/4885

“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.