SCHEMBL3424758

SCHEMBL3424758

OC(Cc1ccnc2ccccc12)(CC1CCOc2ccc(F)cc21)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 7/20 0.42
P2RX7 Q99572 4/20 0.35
JAK2 O60674 1/20 0.33
JAK3 P52333 1/20 0.33
PGR P06401 2/20 0.33
NR3C2 P08235 2/20 0.33
TRPV1 Q8NER1 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
DRD2 P14416 1/20 0.31
HTR2A P28223 1/20 0.31
DRD3 P35462 1/20 0.31
HTR1A P08908 1/20 0.31
CYP11B2 P19099 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
SCHEMBL3426301 0.87 NR3C1 (0.33) NR3C1P2RX7JAK2JAK3TRPV1
SCHEMBL3428145 0.75 NR3C1 (0.61) NR3C1PGRNR3C2
SCHEMBL5478161 0.72 NR3C1 (0.45) NR3C1JAK2JAK3PGRTRPV1
SCHEMBL5479257 0.70 NR3C1 (0.39) NR3C1PGRTRPV1KDM4C
SCHEMBL4942167 0.70 NR3C1 (0.66) NR3C1PGRNR3C2
SCHEMBL5474864 0.69 PTGDR2 (0.35) P2RX7TRPV1KDM4C
SCHEMBL5471017 0.69 KDM4C (0.33) TRPV1KDM4CDRD2DRD3
SCHEMBL5484806 0.69 TRPV1 (0.47) NR3C1PGRTRPV1KDM4C
SCHEMBL1634582 0.69 NR3C1 (0.47) NR3C1PGRNR3C2
SCHEMBL5930840 0.68 KCNH2 (0.35) NR3C1PGRNR3C2KDM4CHTR1A

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-7795272-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICAL, INC. (US) 2010-09-14 US claimed
EP-1727813-A1 2-PROPANOL AND 2-PROPYLAMINE DERIVATIVES AND THEIR USE AS GLUCOCORTICOID LIGANDS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-12-06 EP claimed
WO-2005090336-A1 2-PROPANOL AND 2-PROPYLAMINE DERIVATIVES AND THEIR USE AS GLUCOCORTICOID LIGANDS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-09-29 WO claimed
US-20050203128-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-09-15 US claimed
US-7795272-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICAL, INC. (US) 2010-09-14 US disclosed
US-7795272-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICAL, INC. (US) 2010-09-14 US disclosed
US-7795272-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICAL, INC. (US) 2010-09-14 US disclosed
EP-1727813-A1 2-PROPANOL AND 2-PROPYLAMINE DERIVATIVES AND THEIR USE AS GLUCOCORTICOID LIGANDS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-12-06 EP disclosed
WO-2005090336-A1 2-PROPANOL AND 2-PROPYLAMINE DERIVATIVES AND THEIR USE AS GLUCOCORTICOID LIGANDS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-09-29 WO disclosed
US-20050203128-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-09-15 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 (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-20050203128-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof NR3C1, NR3C2, MC2R NR3C1 1/4885P2RX7 431/4885JAK2 1143/4885

“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.