SCHEMBL6799604

SCHEMBL6799604

NCC1COc2ccc3nocc3c2O1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 13/20 0.34
CA2 P00918 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2C8 P10632 1/20 0.31
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
CYP2C19 P33261 1/20 0.31
DRD3 P35462 1/20 0.31
SLC6A4 P31645 1/20 0.30

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 0.77 DRD2 (0.53) HTR1ADRD2DRD4DRD3
SCHEMBL4538637 0.77 LTA4H (0.40) HTR1ACYP3A4SLC6A4
SCHEMBL4907152 0.76 HTR1A (0.55) HTR1ACYP3A4CYP2C8DRD2DRD4
SCHEMBL4197898 0.76 HTR1A (0.55) HTR1ACYP3A4CYP2C8DRD2DRD4
SCHEMBL4341944 0.76 HTR1A (0.33) HTR1ACA2CYP3A4CYP2C8DRD2
Hydrochloric Acid SCHEMBL5508210 0.75 HTR1A (0.54) HTR1ACYP3A4CYP2C8DRD2DRD4
Hydrochloric Acid SCHEMBL4483963 0.75 HTR1A (0.54) HTR1ACYP3A4CYP2C8DRD2DRD4
SCHEMBL6796425 0.74 HTR1A (0.42) HTR1ACYP3A4DRD2DRD4CYP2C19
SCHEMBL6792066 0.74 LMNA (0.38) HTR1ACA2CYP3A4CYP2C8DRD2
SCHEMBL4336064 0.73 CA2 (0.32) HTR1ACA2DRD3

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 3 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 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 HTR1A 45/4885CA2 4612/4885CYP3A4 3259/4885

“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.