SCHEMBL5868865

SCHEMBL5868865

Cc1nccn1-c1cccc(C(=O)CC(=O)Nc2cc(-c3ccccc3F)ccc2NC(=O)OC(C)(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
PORCN Q9H237 1/20 0.37
CYP17A1 P05093 1/20 0.37
F2 P00734 4/20 0.36
F10 P00742 3/20 0.36
PRSS1 P07477 3/20 0.36
PRSS2 P07478 3/20 0.36
PRSS3 P35030 3/20 0.36
TP53 P04637 2/20 0.36
NR3C2 P08235 1/20 0.36
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.34
KCNH2 Q12809 1/20 0.34
CACNA1C Q13936 1/20 0.34
SCN5A Q14524 1/20 0.34
GPR142 Q7Z601 1/20 0.34
BRD9 Q9H8M2 1/20 0.34

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
SCHEMBL5868965 0.93 NR3C2 (0.37) ALDH1A1SMN1; SMN2CYP3A4CYP2D6PORCN
SCHEMBL5869084 0.90 CYP17A1 (0.40) ALDH1A1SMN1; SMN2CYP3A4CYP2D6PORCN
SCHEMBL5868832 0.89 F2 (0.36) SMN1; SMN2CYP17A1F2F10PRSS1
SCHEMBL7141959 0.88 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2TP53NR3C2MAPT
SCHEMBL7146199 0.88 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2CYP3A4CYP2D6PORCN
SCHEMBL5868885 0.88 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2TP53MAPTLMNA
SCHEMBL5868872 0.86 CYP3A4 (0.40) ALDH1A1SMN1; SMN2CYP3A4CYP17A1F2
SCHEMBL5868854 0.85 ABL1 (0.41) CYP3A4CYP2D6PORCNCYP17A1F2
SCHEMBL5868951 0.85 CYP17A1 (0.37) CYP17A1F2F10PRSS1PRSS2
SCHEMBL5558572 0.84 SCN5A (0.41) ALDH1A1SMN1; SMN2CYP17A1LMNAKCNH2

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 ALDH1A1 637/4885SMN1; SMN2 4427/4885CYP3A4 3296/4885
US-20050234048-A1 Glutamate receptor antagonists GRM3, GRM1, GRM2 ALDH1A1 1025/4885SMN1; SMN2 4608/4885CYP3A4 2838/4885
US-20060148791-A1 Glutamate receptor antagonists GRM3, GRM1, GRM2 ALDH1A1 1025/4885SMN1; SMN2 4608/4885CYP3A4 2838/4885

“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.