SCHEMBL1634610

SCHEMBL1634610

CC(C)(CC(O)C(F)(F)F)c1ccccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
AHR P35869 1/20 0.38
CHRM2 P08172 1/20 0.35
CHRM3 P20309 1/20 0.34
CETP P11597 6/20 0.34
BLM P54132 2/20 0.33
CYP2D6 P10635 1/20 0.33
SLC22A2 O15244 1/20 0.33
SLC22A1 O15245 1/20 0.33
PGR P06401 1/20 0.33
THRB P10828 1/20 0.33
ADRB3 P13945 1/20 0.33
OPRK1 P41145 1/20 0.33
PMP22 Q01453 1/20 0.33
KCNH2 Q12809 1/20 0.33
PDE3A Q14432 1/20 0.33
SLC47A1 Q96FL8 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL3296827 0.79 SMN1; SMN2 (0.44) SMN1; SMN2L3MBTL1AHRCHRM2CHRM3
SCHEMBL12705444 0.78 SMN1; SMN2 (0.45) SMN1; SMN2L3MBTL1CHRM2CHRM3BLM
SCHEMBL5780758 0.74 TAAR1 (0.45) CETPCYP3A4ALOX15TSHRCYP1A2
SCHEMBL1633665 0.74 AHR (0.34) SMN1; SMN2L3MBTL1AHRCHRM2CETP
SCHEMBL24608558 0.73 SMN1; SMN2 (0.54) SMN1; SMN2L3MBTL1AHRCHRM2CHRM3
SCHEMBL29750392 0.73 SMN1; SMN2 (0.54) SMN1; SMN2L3MBTL1AHRCHRM2CHRM3
SCHEMBL16132477 0.72 SMN1; SMN2 (0.44) SMN1; SMN2L3MBTL1AHRCHRM2CHRM3
SCHEMBL16132483 0.72 SMN1; SMN2 (0.44) SMN1; SMN2L3MBTL1AHRCHRM2CHRM3
SCHEMBL4728011 0.71 SMN1; SMN2 (0.50) SMN1; SMN2L3MBTL1AHRCHRM2CHRM3
SCHEMBL1635543 0.71 SMN1; SMN2 (0.43) SMN1; SMN2L3MBTL1AHRCETPBLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8212040-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2012-07-03 US disclosed
US-8212040-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2012-07-03 US disclosed
US-8212040-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2012-07-03 US disclosed
US-7932392-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2011-04-26 US disclosed
US-7932392-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2011-04-26 US disclosed
US-7932392-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2011-04-26 US disclosed
US-7553966-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-06-30 US disclosed
US-7553966-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-06-30 US disclosed
US-7553966-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-06-30 US disclosed
EP-1490062-B1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM PHARMA (US) 2007-12-19 EP disclosed
EP-1490062-B1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM PHARMA (US) 2007-12-19 EP disclosed
US-20060189647-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-08-24 US disclosed
US-20050282881-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-12-22 US disclosed
US-6903215-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-06-07 US disclosed
US-20050059714-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-03-17 US disclosed
EP-1490062-A1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2004-12-29 EP disclosed
US-20040023999-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-02-05 US disclosed
WO-2003082280-A1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-10-09 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 (4 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-20060189647-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and thereof NR3C1, NR3C2, MC2R SMN1; SMN2 2664/4885L3MBTL1 3899/4885AHR 637/4885
US-20050059714-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof NR3C1, NR3C2, MC2R SMN1; SMN2 2771/4885L3MBTL1 3748/4885AHR 644/4885
US-20040023999-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof NR3C1, NR3C2, MC2R SMN1; SMN2 2745/4885L3MBTL1 4305/4885AHR 817/4885
US-20050282881-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof NR3C1, NR3C2, MC2R SMN1; SMN2 2830/4885L3MBTL1 3924/4885AHR 708/4885

“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.