SCHEMBL6864820

SCHEMBL6864820

NCC1COc2ccc3[nH]c(C(F)(F)F)nc3c2O1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 4/20 0.45
DRD3 P35462 4/20 0.45
DRD2 P14416 3/20 0.45
MAPT P10636 2/20 0.39
MEN1 O00255 2/20 0.39
GAA P10253 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PARP1 P09874 1/20 0.36
KDM4E B2RXH2 2/20 0.34
HPGD P15428 1/20 0.34
GNRHR P30968 4/20 0.33
NPSR1 Q6W5P4 1/20 0.32
HTR1A P08908 1/20 0.31
HTR1D P28221 1/20 0.31
HTR1B P28222 1/20 0.31

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
SCHEMBL6864588 0.80 DRD2 (0.70) DRD4DRD3DRD2MEN1KMT2A
SCHEMBL6864825 0.79 DRD2 (0.41) DRD4DRD3DRD2MAPTMEN1
SCHEMBL7035118 0.78 DRD2 (0.46) DRD4DRD3DRD2HTR1A
SCHEMBL6201692 0.77 DRD2 (0.40) DRD4DRD3DRD2MAPTPARP1
SCHEMBL7041348 0.76 DRD2 (0.39) DRD4DRD3DRD2POLBGNRHR
SCHEMBL6199543 0.74 HTR1A (0.36) DRD2GAAPARP1KDM4EHTR1A
SCHEMBL7038063 0.73 HTR2A (0.42) DRD2PARP1HTR1A
SCHEMBL4331814 0.70 LTA4H (0.33) MEN1KMT2AHTR1A
SCHEMBL6201832 0.69 ADRB2 (0.34) DRD2POLBPARP1HTR1A
SCHEMBL6203129 0.69 ADRB2 (0.34) DRD2POLBPARP1HTR1A

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-6803368-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 2004-10-12 US claimed
US-20020183330-A1 Antipsychotic aminomethyl derivatives of 7,8-dihydro-3H-6,9-dioxa-1,3-diaza-cyclopenta[a]naphthalene AMERICAN HOME PRODUCTS CORPORATION 2002-12-05 US claimed
WO-2002085912-A1 ANTIPSYCHOTIC AMINOMETHYL DERIVATIVES OF 7,8-DIHYDRO-3H-6,9-DIOXA-1,3-DIAZA-CYCLOPENTA[a]NAPHTHALENE WYETH (US) 2002-10-31 WO claimed
US-6803368-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 2004-10-12 US disclosed
US-20020183330-A1 Antipsychotic aminomethyl derivatives of 7,8-dihydro-3H-6,9-dioxa-1,3-diaza-cyclopenta[a]naphthalene AMERICAN HOME PRODUCTS CORPORATION 2002-12-05 US disclosed
WO-2002085912-A1 ANTIPSYCHOTIC AMINOMETHYL DERIVATIVES OF 7,8-DIHYDRO-3H-6,9-DIOXA-1,3-DIAZA-CYCLOPENTA[a]NAPHTHALENE WYETH (US) 2002-10-31 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-20020183330-A1 Antipsychotic aminomethyl derivatives of 7,8-dihydro-3H-6,9-dioxa-1,3-diaza-cyclopenta[a]naphthalene SNCA, PARK7, SYNJ1 DRD4 41/4885DRD3 15/4885DRD2 17/4885

“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.