SCHEMBL6864825

SCHEMBL6864825

CNC1COc2ccc3[nH]c(C(F)(F)F)nc3c2O1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.41
DRD4 P21917 3/20 0.41
DRD3 P35462 3/20 0.41
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
GAA P10253 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 2/20 0.34
HPGD P15428 1/20 0.34
PARP1 P09874 1/20 0.34
NPSR1 Q6W5P4 1/20 0.32
GNRHR P30968 1/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
HTT P42858 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
SCHEMBL6864820 0.79 DRD4 (0.45) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL7035118 0.73 DRD2 (0.46) DRD2DRD4DRD3
SCHEMBL6202160 0.71 DRD2 (0.40) DRD2DRD4DRD3MAPTKDM4E
SCHEMBL6865803 0.70 DRD2 (0.55) DRD2DRD4DRD3POLBALDH1A1
SCHEMBL7041348 0.68 DRD2 (0.39) DRD2DRD4DRD3POLBGNRHR
SCHEMBL7038637 0.67 HTR1A (0.49) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL10432246 0.65 L3MBTL1 (0.40) GAAL3MBTL1MAPTKDM4ENPSR1
SCHEMBL5730188 0.62 DRD4 (0.66) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL6201832 0.62 ADRB2 (0.34) DRD2POLBPARP1HTT
SCHEMBL6203129 0.62 ADRB2 (0.34) DRD2POLBPARP1HTT

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 DRD2 17/4885DRD4 41/4885DRD3 15/4885

“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.