SCHEMBL6800429

SCHEMBL6800429

c1ccc(CCCCNCC2COc3ccc4nocc4c3O2)cc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.56
DRD2 P14416 4/20 0.53
HTR2A P28223 3/20 0.53
HTR1A P08908 3/20 0.53
HTR2C P28335 2/20 0.53
HTR2B P41595 2/20 0.53
DRD4 P21917 2/20 0.39
DRD3 P35462 2/20 0.39
POLB P06746 1/20 0.38
ESR2 Q92731 1/20 0.38
HRH1 P35367 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
HPGD P15428 1/20 0.37
HTR1D P28221 1/20 0.37

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
SCHEMBL6798376 0.86 DRD2 (0.53) ALDH1A1SMN1; SMN2DRD2HTR2AHTR1A
SCHEMBL6792078 0.81 HTR1A (0.50) ALDH1A1SMN1; SMN2DRD2HTR2AHTR1A
SCHEMBL6861375 0.74 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2DRD2HTR2AHTR1A
SCHEMBL6323288 0.73 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2DRD2HTR2AHTR1A
SCHEMBL6799604 0.73 HTR1A (0.34) DRD2HTR1ADRD4DRD3
SCHEMBL5957113 0.73 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2DRD2HTR2AHTR1A
SCHEMBL6865803 0.72 DRD2 (0.55) ALDH1A1SMN1; SMN2DRD2HTR2AHTR1A
SCHEMBL4778919 0.69 HTR1A (0.47) ALDH1A1SMN1; SMN2DRD2HTR2AHTR1A
SCHEMBL5233437 0.69 HTR1A (0.54) ALDH1A1DRD2HTR2AHTR1AHTR2C
SCHEMBL14164014 0.69 HTR1A (0.48) SMN1; SMN2DRD2HTR2AHTR1AHTR2C

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 ALDH1A1 3094/4885SMN1; SMN2 1558/4885DRD2 28/4885

“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.