SCHEMBL7036151

SCHEMBL7036151

CC(=O)Nc1cccc(OCCCNCC2COc3ccc4[nH]c(C(F)(F)F)nc4c3O2)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
DRD2 P14416 3/20 0.42
HTR1A P08908 2/20 0.42
HTR2A P28223 2/20 0.42
HTR2C P28335 2/20 0.42
HTR2B P41595 2/20 0.42
MAPT P10636 2/20 0.40
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
ADRA1D P25100 9/20 0.39
ADRA1A P35348 9/20 0.39
ADRA1B P35368 9/20 0.39

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
SCHEMBL6320740 0.82 ALDH1A1 (0.46) ALDH1A1DRD2HTR1AHTR2AHTR2C
SCHEMBL5957058 0.77 ALDH1A1 (0.45) ALDH1A1DRD2HTR1AHTR2AHTR2C
SCHEMBL6865803 0.75 DRD2 (0.55) ALDH1A1DRD2HTR1AHTR2AHTR2C
SCHEMBL6864588 0.72 DRD2 (0.70) ALDH1A1DRD2HTR1AHTR2AHTR2C
SCHEMBL6864820 0.68 DRD4 (0.45) DRD2HTR1AMAPTDRD4DRD3
SCHEMBL9208894 0.65 ADRA1D (0.49) ADRA1DADRA1AADRA1B
SCHEMBL13932723 0.65 MAPT (0.63) ALDH1A1MAPT
SCHEMBL9205447 0.65 ADRA1D (0.67) ALDH1A1HTR1AADRA1DADRA1AADRA1B
SCHEMBL9204173 0.64 ADRA1D (0.60) ADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL9212442 0.63 ADRA1D (0.68) ALDH1A1HTR1AADRA1DADRA1AADRA1B

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 ALDH1A1 1578/4885DRD2 17/4885HTR1A 59/4885

“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.