SCHEMBL6765019

SCHEMBL6765019

c1ccc2c(c1)CCN(CC1COc3ccc4[nH]ncc4c3O1)C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.41
SLC6A4 P31645 1/20 0.41
DRD2 P14416 6/20 0.40
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
DRD4 P21917 3/20 0.39
DRD3 P35462 3/20 0.39
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
SCN1A P35498 1/20 0.37
SCN2A Q99250 1/20 0.37
SCN3A Q9NY46 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
SCHEMBL6796425 0.79 HTR1A (0.42) HTR1ASLC6A4DRD2PRMT5WDR77
SCHEMBL6767324 0.77 HTR1A (0.71) HTR1ASLC6A4DRD2SIGMAR1
SCHEMBL567783 0.75 ADRA2A (0.63) HTR1ADRD2PRMT5WDR77CYP1A2
SCHEMBL30495415 0.75 ADRA2A (0.63) HTR1ADRD2PRMT5WDR77CYP1A2
SCHEMBL6994156 0.75 DRD2 (0.50) HTR1ASLC6A4DRD2PRMT5WDR77
SCHEMBL6774282 0.74 HTR1A (0.32) HTR1ADRD2
SCHEMBL7465933 0.71 ADRA1D (0.46) HTR1ADRD2ADRA2AADRA2BADRA2C
SCHEMBL7468004 0.69 ADRA2A (0.52) HTR1ADRD2DRD3ADRA2AADRA2B
SCHEMBL6767230 0.69 HTR1A (0.50) HTR1ASLC6A4
SCHEMBL29374136 0.68 DRD2 (0.49) DRD2PRMT5WDR77DRD4DRD3

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-6800641-B2 FOR THERAPY OF SCHIZOPHRENIA, SCHIZOAFFECTIVE DISORDER, BIPOLAR DISORDER, PARKINSON'S DISEASE, L-DOPA INDUCED PSYCHOSES OR DYSKINESIAS, TOURETTE'S SYNDROME, HYPERPROLACTINEMIA, OR ADDICTION TO ETHANOL, NICOTINE, COCAINE WYETH 2004-10-05 US claimed
US-20020183331-A1 Antipsychotic aminomethyl derivatives of 7,8-dihydro-3H-6,9-dioxa-2,3-diaza-cyclopenta[a]naphthalene WYETH 2002-12-05 US claimed
WO-2002088133-A1 ANTIPSYCHOTIC AMINOMETHYL DERIVATIVES OF 7,8-DIHYDRO-3H-6,9-DIOXA-2,3-DIAZA-CYCLOPENTA[a]NAPHTHALENE WYETH (US) 2002-11-07 WO claimed
US-6800641-B2 FOR THERAPY OF SCHIZOPHRENIA, SCHIZOAFFECTIVE DISORDER, BIPOLAR DISORDER, PARKINSON'S DISEASE, L-DOPA INDUCED PSYCHOSES OR DYSKINESIAS, TOURETTE'S SYNDROME, HYPERPROLACTINEMIA, OR ADDICTION TO ETHANOL, NICOTINE, COCAINE WYETH 2004-10-05 US disclosed
US-20020183331-A1 Antipsychotic aminomethyl derivatives of 7,8-dihydro-3H-6,9-dioxa-2,3-diaza-cyclopenta[a]naphthalene WYETH 2002-12-05 US disclosed
WO-2002088133-A1 ANTIPSYCHOTIC AMINOMETHYL DERIVATIVES OF 7,8-DIHYDRO-3H-6,9-DIOXA-2,3-DIAZA-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-20020183331-A1 Antipsychotic aminomethyl derivatives of 7,8-dihydro-3H-6,9-dioxa-2,3-diaza-cyclopenta[a]naphthalene SNCA, SYNJ1, SLC6A3 HTR1A 86/4885SLC6A4 549/4885DRD2 13/4885

“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.