SCHEMBL2006306

SCHEMBL2006306

COc1ccc(Cl)cc1-c1ccc([C@@H](C)N)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.52
CASR P41180 2/20 0.46
AGPAT2 O15120 3/20 0.45
ERN1 O75460 2/20 0.45
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 2/20 0.44
MME P08473 1/20 0.42
MMEL1 Q495T6 1/20 0.42
RECQL P46063 1/20 0.42
HPGD P15428 4/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CTSA P10619 1/20 0.40
USP2 O75604 1/20 0.40
PRNP P04156 1/20 0.40
PPARG P37231 1/20 0.40
MAPK10 P53779 1/20 0.40
NCOA2 Q15596 1/20 0.40
NCOA1 Q15788 1/20 0.40

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
SCHEMBL5236993 1.00 ADRB2 (0.52) ADRB2CASRAGPAT2ERN1ALDH1A1
SCHEMBL9254425 0.89 ERN1 (0.49) CASRAGPAT2ERN1ALDH1A1KDM4E
SCHEMBL2007267 0.84 AGPAT2 (0.48) ADRB2AGPAT2HPGD
SCHEMBL2005434 0.84 AGPAT2 (0.48) ADRB2AGPAT2HPGD
SCHEMBL2006872 0.83 CASR (0.47) CASRERN1ALDH1A1CTSA
SCHEMBL5234949 0.83 CASR (0.47) CASRERN1ALDH1A1CTSA
SCHEMBL2009504 0.81 CASR (0.49) CASRERN1MMEL1
SCHEMBL2009918 0.81 CASR (0.49) CASRERN1MMEL1
SCHEMBL16712950 0.81 CTSA (0.48) CASRAGPAT2ERN1CTSA
SCHEMBL2785782 0.80 ALDH1A1 (0.53) AGPAT2ERN1ALDH1A1KDM4ERECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960365-B2 Compounds with medicinal effects due to interaction with the glucocorticoid receptor N.V. ORGANON (NL) 2011-06-14 US disclosed
US-20070149577-A1 Compounds with medicinal effects due to interaction with the glucocorticoid receptor N.V. ORGANON (NL) 2007-06-28 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 (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-20070149577-A1 Compounds with medicinal effects due to interaction with the glucocorticoid receptor NR3C1, NR3C2, MC2R ADRB2 104/4885CASR 517/4885AGPAT2 2260/4885

“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.