SCHEMBL6796482

SCHEMBL6796482

C1=C(c2c[nH]c3ccccc23)CCN(CC2COc3ccc4nocc4c3O2)C1

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 13/20 0.75
SLC6A4 P31645 4/20 0.75
KDM4E B2RXH2 2/20 0.48
LMNA P02545 2/20 0.48
ALOX15 P16050 2/20 0.48
DRD2 P14416 5/20 0.48
HTR2A P28223 3/20 0.48
HTT P42858 1/20 0.47
SIGMAR1 Q99720 1/20 0.43
POLB P06746 1/20 0.42
HTR6 P50406 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL6628900 0.88 HTR1A (0.78) HTR1ASLC6A4KDM4ELMNAALOX15
SCHEMBL6628542 0.85 HTR1A (0.72) HTR1ASLC6A4KDM4ELMNAALOX15
SCHEMBL6628011 0.85 HTR1A (1.00) HTR1ASLC6A4KDM4ELMNAALOX15
SCHEMBL6627159 0.85 HTR1A (0.73) HTR1ASLC6A4KDM4ELMNAALOX15
SCHEMBL4998818 0.85 HTR1A (1.00) HTR1ASLC6A4KDM4ELMNAALOX15
SCHEMBL5767215 0.85 HTR1A (0.72) HTR1ASLC6A4KDM4ELMNAALOX15
SCHEMBL6843634 0.85 HTR1A (0.72) HTR1ASLC6A4KDM4ELMNAALOX15
SCHEMBL6628586 0.85 HTR1A (0.76) HTR1ASLC6A4KDM4ELMNAALOX15
SCHEMBL6767324 0.84 HTR1A (0.71) HTR1ASLC6A4KDM4ELMNAALOX15
SCHEMBL6627092 0.84 HTR1A (0.80) 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 4 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
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

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 HTR1A 45/4885SLC6A4 371/4885KDM4E 3048/4885

“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.