SCHEMBL5869062

SCHEMBL5869062

COCOc1cc(F)ccc1B(O)O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.40
LIPE Q05469 1/20 0.38
PTPN1 P18031 1/20 0.36
FFAR4 Q5NUL3 3/20 0.34
FFAR1 O14842 2/20 0.34
GRM5 P41594 1/20 0.32
EGFR P00533 1/20 0.32
PKM P14618 1/20 0.32
ORAI1 Q96D31 1/20 0.32
ORAI2 Q96SN7 1/20 0.32
ORAI3 Q9BRQ5 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL1303737 0.86 LIPE (0.38) ENPP2LIPEPTPN1FFAR4FFAR1
SCHEMBL25345554 0.85 ENPP2 (0.39) ENPP2LIPESMN1; SMN2
SCHEMBL31314076 0.83 LIPE (0.36) ENPP2LIPEFFAR4FFAR1ALDH1A1
SCHEMBL29954551 0.82 L3MBTL1 (0.42) ENPP2LIPEALDH1A1
SCHEMBL4050099 0.82 L3MBTL1 (0.42) ENPP2LIPEALDH1A1
SCHEMBL772019 0.81 ENPP2 (0.37) ENPP2LIPEPTPN1EGFRHDAC3
SCHEMBL30995019 0.81 ACHE (0.39) ENPP2LIPEPTPN1SMN1; SMN2ALDH1A1
SCHEMBL26316395 0.81 ACHE (0.39) ENPP2LIPEPTPN1SMN1; SMN2ALDH1A1
SCHEMBL29550601 0.80 ENPP2 (0.57) ENPP2PKMORAI1ORAI2ORAI3
SCHEMBL520857 0.80 ENPP2 (0.57) ENPP2PKMORAI1ORAI2ORAI3

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 ENPP2 858/4885LIPE 4415/4885PTPN1 2326/4885
US-20050234048-A1 Glutamate receptor antagonists GRM3, GRM1, GRM2 ENPP2 575/4885LIPE 3979/4885PTPN1 2695/4885
US-20060148791-A1 Glutamate receptor antagonists GRM3, GRM1, GRM2 ENPP2 575/4885LIPE 3979/4885PTPN1 2695/4885

“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.