SCHEMBL5869036

SCHEMBL5869036

O=C1CC(c2ccccc2O)=Nc2ccc(-c3ccc(F)cc3)cc2N1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.48
CYP3A4 P08684 2/20 0.47
RXFP1 Q9HBX9 1/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL5869041 0.91 RAB9A (0.50) RAB9ANPSR1SMN1; SMN2CYP3A4RXFP1
SCHEMBL5868925 0.83 GRM2 (0.44)
SCHEMBL6071939 0.80 CYP3A4 (0.43) CYP3A4
SCHEMBL30240816 0.80 ALDH1A1 (0.64) RAB9ANPSR1SMN1; SMN2NPC1ALDH1A1
SCHEMBL45369 0.80 ALDH1A1 (0.64) RAB9ANPSR1SMN1; SMN2NPC1ALDH1A1
SCHEMBL1420881 0.79 ALDH1A1 (0.56) RAB9ANPSR1SMN1; SMN2RXFP1NPC1
SCHEMBL5869083 0.77 GRM2 (0.55) RAB9ASMN1; SMN2
SCHEMBL5869028 0.77
SCHEMBL5868805 0.77 GRM2 (0.53) RAB9ASMN1; SMN2
SCHEMBL5869118 0.76 GRM2 (0.51)

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 12 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 claimed
US-20060148791-A1 Glutamate receptor antagonists ADAM GEO 2006-07-06 US claimed
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 1527/4885NPSR1 79/4885SMN1; SMN2 4427/4885
US-20050234048-A1 Glutamate receptor antagonists GRM3, GRM1, GRM2 RAB9A 2325/4885NPSR1 69/4885SMN1; SMN2 4608/4885
US-20060148791-A1 Glutamate receptor antagonists GRM3, GRM1, GRM2 RAB9A 2325/4885NPSR1 69/4885SMN1; SMN2 4608/4885

“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.