SCHEMBL6798376

SCHEMBL6798376

c1ccc(CNCC2COc3ccc4nocc4c3O2)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.53
DRD4 P21917 3/20 0.53
DRD3 P35462 3/20 0.53
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
HTR1A P08908 2/20 0.42
HTR2A P28223 2/20 0.42
HTR2C P28335 2/20 0.42
HTR2B P41595 2/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
ALOX12 P18054 1/20 0.41
HTT P42858 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 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
SCHEMBL6800429 0.86 ALDH1A1 (0.61) DRD2DRD4DRD3ALDH1A1SMN1; SMN2
SCHEMBL6799604 0.77 HTR1A (0.34) DRD2DRD4DRD3HTR1A
SCHEMBL6792078 0.75 HTR1A (0.50) DRD2ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL8864306 0.74 ALDH1A1 (0.79) DRD2DRD4DRD3ALDH1A1MEN1
SCHEMBL5957062 0.72 DRD2 (0.52) DRD2DRD4DRD3ALDH1A1MEN1
SCHEMBL6860665 0.71 DRD2 (0.53) DRD2DRD4DRD3ALDH1A1MEN1
SCHEMBL8223940 0.71 DRD2 (0.54) DRD2DRD4DRD3ALDH1A1MEN1
SCHEMBL6320521 0.70 DRD2 (0.67) DRD2DRD4DRD3ALDH1A1MEN1
SCHEMBL6796425 0.70 HTR1A (0.42) DRD2DRD4DRD3HTR1A
Aplindore SCHEMBL119499 0.70 DRD2 (0.68) DRD2DRD4DRD3ALDH1A1MEN1

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-6800642-B2 SUCH AS BENZYL-(-7,8-DIHYDRO-2,6,9-TRIOXA-3-AZA-CYCLOPENTA(A)NAPHTHALEN-8-YLMETHYL) -AMINE; FOR TREATMENT OF DRUG DEPENDENCE/ADDICTION, BIPOLAR DISORDER, PARKINSON'S DISEASE, LEVODOPA INDUCED PSYCHOSES OR DYSKINESIAS WYETH 2004-10-05 US claimed
US-20020198217-A1 Antipsychotic aminomethyl derivatives of 7,8-dihydro-2,6,9-trioxa-3-aza-cyclopenta[a]naphthalene WYETH (US) 2002-12-26 US claimed
WO-2002088141-A2 ANTIPSYCHOTIC AMINOMETHYL DERIVATIVES OF 7,8-DIHYDRO-2,6,9-TRIOXA-3-AZA-CYCLOPENTA[a]NAPHTHALENE WYETH (US) 2002-11-07 WO claimed
US-6800642-B2 SUCH AS BENZYL-(-7,8-DIHYDRO-2,6,9-TRIOXA-3-AZA-CYCLOPENTA(A)NAPHTHALEN-8-YLMETHYL) -AMINE; FOR TREATMENT OF DRUG DEPENDENCE/ADDICTION, BIPOLAR DISORDER, PARKINSON'S DISEASE, LEVODOPA INDUCED PSYCHOSES OR DYSKINESIAS WYETH 2004-10-05 US disclosed
US-20020198217-A1 Antipsychotic aminomethyl derivatives of 7,8-dihydro-2,6,9-trioxa-3-aza-cyclopenta[a]naphthalene WYETH (US) 2002-12-26 US disclosed
WO-2002088141-A2 ANTIPSYCHOTIC AMINOMETHYL DERIVATIVES OF 7,8-DIHYDRO-2,6,9-TRIOXA-3-AZA-CYCLOPENTA[a]NAPHTHALENE 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-20020198217-A1 Antipsychotic aminomethyl derivatives of 7,8-dihydro-2,6,9-trioxa-3-aza-cyclopenta[a]naphthalene SNCA, SYNJ2, PARK7 DRD2 28/4885DRD4 113/4885DRD3 35/4885

“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.