SCHEMBL3426301

SCHEMBL3426301

OC(Cc1ccnc2ccccc12)(CC1CCOc2ccc(F)cc21)C1CC1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 4/20 0.33
JAK2 O60674 1/20 0.33
JAK3 P52333 1/20 0.33
TRPV1 Q8NER1 1/20 0.32
P2RX7 Q99572 3/20 0.32
KDM4C Q9H3R0 3/20 0.32
CYP11B2 P19099 2/20 0.31
AR P10275 1/20 0.31
LOXL2 Q9Y4K0 1/20 0.30
KDM6B O15054 1/20 0.30

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
SCHEMBL3424758 0.87 NR3C1 (0.42) NR3C1JAK2JAK3TRPV1P2RX7
SCHEMBL3428145 0.66 NR3C1 (0.61) NR3C1
SCHEMBL5471017 0.65 KDM4C (0.33) TRPV1KDM4C
SCHEMBL5474864 0.65 PTGDR2 (0.35) TRPV1P2RX7KDM4C
SCHEMBL3427700 0.65 NR3C1 (0.45) NR3C1
SCHEMBL5477201 0.65 TRPV1 (0.31) NR3C1TRPV1KDM4C
SCHEMBL6017520 0.64 NR3C1 (0.40) NR3C1
SCHEMBL5479489 0.64 KDM4C (0.38) JAK2TRPV1KDM4C
SCHEMBL15819872 0.64 HTR2C (0.40) TRPV1KDM4C
SCHEMBL10244128 0.64 ADRA2A (0.38) TRPV1KDM4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 1/4885JAK2 1143/4885JAK3 951/4885

“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.