SCHEMBL5869113

SCHEMBL5869113

O=C1CC(c2sccc2Cl)=Nc2ccc(-c3ccc(OCc4ccccc4)nc3)cc2N1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.42
CREBBP Q92793 1/20 0.42
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GRM2 Q14416 2/20 0.38
LOXL2 Q9Y4K0 1/20 0.38

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 0.83 RAB9A (0.54) ALDH1A1NPC1RAB9ASMN1; SMN2GRM2
SCHEMBL5868903 0.79 GRM2 (0.54) GRM2
SCHEMBL5869040 0.77 RAB9A (0.44) ALDH1A1NPC1RAB9ASMN1; SMN2GRM2
SCHEMBL5869077 0.76 GRM2 (0.47) RAB9ASMN1; SMN2GRM2
SCHEMBL5869545 0.75 RAB9A (0.49) ALDH1A1NPC1RAB9ASMN1; SMN2GRM2
SCHEMBL5868821 0.75 GRM2 (0.66) GRM2
SCHEMBL5559786 0.68 GRM2 (0.65) ALDH1A1NPC1GRM2
SCHEMBL5869081 0.67 RAB9A (0.56) ALDH1A1NPC1RAB9ASMN1; SMN2GRM2
SCHEMBL5868976 0.66 GRM2 (0.73) ALDH1A1NPC1RAB9ASMN1; SMN2GRM2
SCHEMBL5868759 0.66 RAB9A (0.60) ALDH1A1NPC1RAB9ASMN1; SMN2GRM2

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 7 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

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 BRD4 2367/4885CREBBP 3079/4885ALDH1A1 637/4885
US-20050234048-A1 Glutamate receptor antagonists GRM3, GRM1, GRM2 BRD4 1540/4885CREBBP 2491/4885ALDH1A1 1025/4885
US-20060148791-A1 Glutamate receptor antagonists GRM3, GRM1, GRM2 BRD4 1540/4885CREBBP 2491/4885ALDH1A1 1025/4885

“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.