SCHEMBL5869040

SCHEMBL5869040

O=C1CC(c2sccc2Cl)=Nc2ccc(-c3ccccn3)cc2N1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GRM2 Q14416 2/20 0.44
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL5868758 0.86 RAB9A (0.54) RAB9ASMN1; SMN2GRM2NPC1ALDH1A1
SCHEMBL5869545 0.82 RAB9A (0.49) RAB9ASMN1; SMN2GRM2NPC1ALDH1A1
SCHEMBL5869077 0.81 GRM2 (0.47) RAB9ASMN1; SMN2GRM2
SCHEMBL5869113 0.77 BRD4 (0.42) RAB9ASMN1; SMN2GRM2NPC1ALDH1A1
SCHEMBL5558172 0.77 GRM2 (0.69) RAB9ASMN1; SMN2GRM2ALDH1A1
SCHEMBL5869073 0.75
SCHEMBL6477792 0.74 CYP3A4 (0.65) GRM2
SCHEMBL29899623 0.73 KDM1A (0.55)
SCHEMBL6744849 0.73 KDM1A (0.55)
SCHEMBL5563624 0.73 GRM2 (0.64) GRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7151098-B2 Glutamate receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2006-12-19 US disclosed
US-20060148791-A1 Glutamate receptor antagonists ADAM GEO 2006-07-06 US disclosed
US-7018998-B2 Glutamate receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2006-03-28 US disclosed
US-6960578-B2 Glutamate receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2005-11-01 US disclosed
US-20050234048-A1 Glutamate receptor antagonists ADAM GEO 2005-10-20 US disclosed
EP-1224175-B1 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2004-03-17 EP disclosed
US-20030092677-A1 Glutamate receptor antagonists ADAM GEO (DE) 2003-05-15 US disclosed
US-6509328-B1 Metabotropic glutamate receptor antagonists and accordingly are useful for the treatment of a range of neurological disorders, including psychosis, schizophrenia, Alzheimer's and others HOFFMANN-LA ROCHE INC. 2003-01-21 US disclosed
EP-1224175-A2 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-07-24 EP disclosed
WO-2001029012-A2 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-04-26 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 (3 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-20030092677-A1 Glutamate receptor antagonists GRM1, GRM3, GRM2 RAB9A 1527/4885SMN1; SMN2 4427/4885GRM2 3/4885
US-20050234048-A1 Glutamate receptor antagonists GRM3, GRM1, GRM2 RAB9A 2325/4885SMN1; SMN2 4608/4885GRM2 3/4885
US-20060148791-A1 Glutamate receptor antagonists GRM3, GRM1, GRM2 RAB9A 2325/4885SMN1; SMN2 4608/4885GRM2 3/4885

“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.