SCHEMBL6325397

SCHEMBL6325397

O=c1[nH]c2ccc3c(c2[nH]1)OC(CN1CC=C(c2ccccc2)CC1)CO3

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.49
SLC6A4 P31645 1/20 0.49
DRD2 P14416 9/20 0.42
PARP1 P09874 5/20 0.41
DRD4 P21917 4/20 0.39
DRD3 P35462 4/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39

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
SCHEMBL6994776 0.79 SLC6A4 (0.46) HTR1ASLC6A4DRD2PARP1DRD4
SCHEMBL7038637 0.78 HTR1A (0.49) HTR1ASLC6A4DRD2PARP1DRD4
SCHEMBL6903037 0.74 HTR1A (0.76) HTR1ASLC6A4DRD2DRD4DRD3
SCHEMBL6323565 0.73 DRD2 (0.41) HTR1ADRD2DRD4DRD3HTR2A
SCHEMBL6782983 0.73 HTR1A (0.58) HTR1ASLC6A4DRD2PARP1DRD4
SCHEMBL6322438 0.72 DRD2 (0.41) HTR1ADRD2DRD4DRD3HTR2A
SCHEMBL6862712 0.72 HTR1A (0.65) HTR1ASLC6A4DRD2DRD3HTR2A
SCHEMBL6628542 0.72 HTR1A (0.72) HTR1ASLC6A4DRD2HTR2A
SCHEMBL6320521 0.71 DRD2 (0.67) HTR1ADRD2DRD4DRD3HTR2A
SCHEMBL6321111 0.70 HTR2C (0.45) HTR1ASLC6A4DRD2DRD4DRD3

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-6861434-B2 Antipsychotic aminomethyl derivatives of 1,3,7,8-tetrahydro-6,9-dioxa-1,3-diaza-cyclopenta[a]-naphthalen-2-one WYETH (US) 2005-03-01 US claimed
US-20030045526-A1 Antipsychotic aminomethyl derivatives of 1,3,7,8-tetrahydro-6,9-dioxa-1,3-diaza-cyclopenta[a]-naphthalen-2-one WYETH 2003-03-06 US claimed
WO-2002088134-A2 ANTIPSYCHOTIC AMINOMETHYL DERIVATIVES OF 1,3,7,8-TETRAHYDRO-6,9-DIOXA-1,3-DIAZA-CYCLOPENTA[A]-NAPHTHALEN-2-ONE WYETH (US) 2002-11-07 WO claimed
US-6861434-B2 Antipsychotic aminomethyl derivatives of 1,3,7,8-tetrahydro-6,9-dioxa-1,3-diaza-cyclopenta[a]-naphthalen-2-one WYETH (US) 2005-03-01 US disclosed
US-20030045526-A1 Antipsychotic aminomethyl derivatives of 1,3,7,8-tetrahydro-6,9-dioxa-1,3-diaza-cyclopenta[a]-naphthalen-2-one WYETH 2003-03-06 US disclosed
WO-2002088134-A2 ANTIPSYCHOTIC AMINOMETHYL DERIVATIVES OF 1,3,7,8-TETRAHYDRO-6,9-DIOXA-1,3-DIAZA-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-20030045526-A1 Antipsychotic aminomethyl derivatives of 1,3,7,8-tetrahydro-6,9-dioxa-1,3-diaza-cyclopenta[a]-naphthalen-2-one SNCA, SLC6A3, DRD2 HTR1A 20/4885SLC6A4 219/4885DRD2 3/4885

“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.