SCHEMBL6865803

SCHEMBL6865803

FC(F)(F)c1nc2c3c(ccc2[nH]1)OCC(CNCCCCc1ccccc1)O3

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.55
DRD4 P21917 5/20 0.55
DRD3 P35462 5/20 0.55
ALDH1A1 P00352 3/20 0.55
HTR1A P08908 3/20 0.53
HTR2A P28223 2/20 0.53
HTR2C P28335 2/20 0.53
HTR2B P41595 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.51
HTR1D P28221 1/20 0.35
POLB P06746 1/20 0.35
ESR2 Q92731 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35

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 0.88 DRD2 (0.70) DRD2DRD4DRD3ALDH1A1HTR1A
SCHEMBL6861375 0.78 ALDH1A1 (0.61) DRD2DRD4DRD3ALDH1A1HTR1A
SCHEMBL6323288 0.77 ALDH1A1 (0.60) DRD2DRD4DRD3ALDH1A1HTR1A
SCHEMBL7035118 0.76 DRD2 (0.46) DRD2DRD4DRD3HTR1AHTR2A
SCHEMBL6864820 0.76 DRD4 (0.45) DRD2DRD4DRD3HTR1AHTR1D
SCHEMBL7036151 0.75 ALDH1A1 (0.42) DRD2DRD4DRD3ALDH1A1HTR1A
SCHEMBL6800429 0.72 ALDH1A1 (0.61) DRD2DRD4DRD3ALDH1A1HTR1A
SCHEMBL5957113 0.70 ALDH1A1 (0.59) DRD2DRD4DRD3ALDH1A1HTR1A
SCHEMBL7038637 0.70 HTR1A (0.49) DRD2DRD4DRD3HTR1A
SCHEMBL6864825 0.70 DRD2 (0.41) DRD2DRD4DRD3ALDH1A1POLB

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.