SCHEMBL4474966

SCHEMBL4474966

c1ccc(C(Nc2ccnc3ccccc23)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.54
ADRA1D P25100 2/20 0.54
ADRA1A P35348 2/20 0.54
ADRA1B P35368 2/20 0.54
FERMT2 Q96AC1 1/20 0.49
ERBB2 P04626 1/20 0.48
PTPN1 P18031 1/20 0.45
PTPN11 Q06124 1/20 0.45
FADS1 O60427 1/20 0.44
EGFR P00533 1/20 0.44
HTT P42858 2/20 0.43
NCF1 P14598 1/20 0.43
RIPK2 O43353 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDR P35968 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
GAK O14976 1/20 0.41
COQ8A Q8NI60 1/20 0.41
NLK Q9UBE8 1/20 0.41
HDAC3 O15379 1/20 0.41

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
SCHEMBL27297227 0.79 HTR1A (0.58) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL13230464 0.79 HTR1A (0.58) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL27943481 0.76 HTR1A (0.63) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL8907314 0.76 HTR1A (0.63) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL6752938 0.75 HTR1A (0.68) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL9399457 0.74 PTPN1 (0.51) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL7501793 0.73 HTR1A (0.59) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL7504880 0.73 HTR1A (0.51) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL30420824 0.73 ERBB2 (0.73) HTR1AADRA1DADRA1AADRA1BERBB2
SCHEMBL170830 0.73 ERBB2 (0.73) HTR1AADRA1DADRA1AADRA1BERBB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7579469-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-08-25 US disclosed
US-7579469-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-08-25 US disclosed
EP-1583745-A1 1-PROPANOL AND 1-PROPYLAMINE DERIVATIVES AND THEIR USE AS GLUCOCORTICOID LIGANDS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-10-12 EP disclosed
US-20040162321-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-08-19 US disclosed
WO-2004063163-A1 1-PROPANOL AND 1-PROPYLAMINE DERIVATIVES AND THEIR USE AS GLUCOCORTICOID LIGANDS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-07-29 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 (1 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-20040162321-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof NR3C1, NR3C2, MC2R HTR1A 564/4885ADRA1D 139/4885ADRA1A 160/4885

“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.