SCHEMBL4276496

SCHEMBL4276496

OC(c1ccc2c(c1)ncn2-c1ccc(F)cc1)(c1ccnc2ccccc12)C1CC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.42
GABRA1 P14867 3/20 0.38
FGFR1 P11362 6/20 0.37
HPGD P15428 2/20 0.37
DHODH Q02127 1/20 0.36
PIK3C3 Q8NEB9 1/20 0.36
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
ACVR1 Q04771 2/20 0.35
AURKA O14965 1/20 0.34
KDR P35968 1/20 0.34
AURKB Q96GD4 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
SCHEMBL4281675 0.88 MGLL (0.41) MGLLGABRA1FGFR1HPGDDHODH
SCHEMBL4277579 0.86 KCNH2 (0.46) MGLLMAPT
SCHEMBL4279070 0.84 MGLL (0.41) MGLLGABRA1FGFR1HPGDDHODH
SCHEMBL4273332 0.84 MAPT (0.37) MAPT
SCHEMBL4281411 0.81 NR3C1 (0.52) MGLL
SCHEMBL4280383 0.71 NR3C1 (0.49) MGLLGABRA1FGFR1HPGDAURKA
SCHEMBL4280747 0.71 NR3C1 (0.47) MGLLGABRA1FGFR1HPGD
SCHEMBL4281613 0.70 NR3C1 (0.37) MAPT
SCHEMBL4285257 0.70 KCNH2 (0.49) MGLL
SCHEMBL4285088 0.70 KCNH2 (0.47) MGLLDHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1893588-A1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF Boehringer Ingelheim International GmbH (DE) 2008-03-05 EP claimed
US-20070060633-A1 Glucocortioid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-03-15 US claimed
WO-2006135826-A1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-12-21 WO claimed
US-7622594-B2 Glucocortioid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-11-24 US disclosed
US-7622594-B2 Glucocortioid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-11-24 US disclosed
US-7622594-B2 Glucocortioid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-11-24 US disclosed
EP-1893588-A1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF Boehringer Ingelheim International GmbH (DE) 2008-03-05 EP disclosed
US-20070060633-A1 Glucocortioid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-03-15 US disclosed
WO-2006135826-A1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-12-21 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-20070060633-A1 Glucocortioid mimetics, methods of making them, pharmaceutical compositions, and uses thereof NR3C1, MC2R, NR3C2 MGLL 1618/4885GABRA1 689/4885FGFR1 289/4885

“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.