SCHEMBL7210673

SCHEMBL7210673

C=CCc1cc[n+]([O-])c2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.33
GABRB2 P47870 2/20 0.33
XIAP P98170 1/20 0.33
MAPT P10636 2/20 0.33
MITF O75030 1/20 0.33
AURKA O14965 1/20 0.33
DAPK3 O43293 1/20 0.33
MAP4K4 O95819 1/20 0.33
RET P07949 1/20 0.33
IGF1R P08069 1/20 0.33
MET P08581 1/20 0.33
PIM1 P11309 1/20 0.33
LTK P29376 1/20 0.33
KDR P35968 1/20 0.33
MAPK8 P45983 1/20 0.33
MAPK9 P45984 1/20 0.33
CDK8 P49336 1/20 0.33
CLK2 P49760 1/20 0.33
CDK9 P50750 1/20 0.33
CDK5 Q00535 1/20 0.33

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
SCHEMBL432648 0.88 GABRA1 (0.40) GABRA1GABRB2MAPTAURKADAPK3
SCHEMBL633559 0.78 RAB9A (0.36) XIAPMAPTMITFKDM4E
SCHEMBL5910040 0.77 MAPT (0.38) XIAPMAPTMITFALDH1A1MEN1
SCHEMBL1496262 0.77 MITF (0.35) XIAPMAPTMITFALDH1A1
SCHEMBL4652195 0.77 MITF (0.35) XIAPMAPTMITF
SCHEMBL5831736 0.72 GABRA1 (0.45) GABRA1GABRB2MAPTAURKADAPK3
SCHEMBL7756163 0.70 XIAP (0.36) XIAPMAPTMITFALDH1A1
SCHEMBL10379684 0.69 GPR84 (0.36) GABRA1GABRB2MAPT
SCHEMBL31619949 0.68 GABRA1 (0.56) GABRA1GABRB2MAPTAURKADAPK3
SCHEMBL5831594 0.68 GABRA1 (0.56) GABRA1GABRB2MAPTAURKADAPK3

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6613901-B2 For therapy and prophylaxis of neuropsychochological disorders such as schizophrenia and other central nervous system diseases NEUROGEN CORPORATION 2003-09-02 US disclosed
US-20020143019-A1 2-aminoalkylaminoquinolines as dopamine D4 ligands NEUROGEN CORPORATION 2002-10-03 US disclosed
US-6313141-B1 FOR THERAPY OF SCHIZOPHRENIA, PSYCHOTIC DEPRESSION, MANIA, PARKINSON'S DISEASE AND TARDIVE DISKINESIA NEUROGEN CORPORATION 2001-11-06 US disclosed
EP-0991642-A1 2-AMINOALKYLAMINOQUINOLINES AS DOPAMINE D4 LIGANDS NEUROGEN CORPORATION (US) 2000-04-12 EP disclosed
US-5972945-A FOR TREATING PSYCHOTIC DISORDERS SUCH AS SCHIZOPHRENIA AND OTHER CENTRAL NERVOUS SYSTEM DISEASES NEUROGEN CORPORATION (US) 1999-10-26 US disclosed
WO-1998056786-A1 2-AMINOALKYLAMINOQUINOLINES AS DOPAMINE D4 LIGANDS NEUROGEN CORPORATION (US) 1998-12-17 WO disclosed
US-5770734-A N-substituted-2-aminoquinolines useful for treating hypofunction of the cholinergic system AMERICAN HOME PRODUCTS CORPORATION (US) 1998-06-23 US disclosed
US-5149815-A Anticholirergic agents AMERICAN HOME PRODUCTS CORPORATION (US) 1992-09-22 US disclosed
US-5093333-A N-substituted-2-aminoquinolines useful for treating hypofunction of the cholinergic system AMERICAN HOME PRODUCTS CORPORATION (US) 1992-03-03 US 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-20020143019-A1 2-aminoalkylaminoquinolines as dopamine D4 ligands SLC6A3, DRD4, ADRA2C GABRA1 293/4885GABRB2 444/4885XIAP 4268/4885

“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.