SCHEMBL4966757

SCHEMBL4966757

ON=C(CNc1ccc(-c2cnco2)cc1)CC1(c2ccccc2C(F)(F)F)CCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.37
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
LMNA P02545 2/20 0.35
PKM P14618 2/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
PORCN Q9H237 1/20 0.35
EPHX2 P34913 1/20 0.34
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
IMPDH2 P12268 3/20 0.33
TRPV1 Q8NER1 1/20 0.33
IMPDH1 P20839 2/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC4 P56524 2/20 0.32
MEN1 O00255 1/20 0.32
SLC9A1 P19634 1/20 0.32
NAMPT P43490 1/20 0.32

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
SCHEMBL14263248 1.00 PDK2 (0.37) PDK2NPC1RAB9ALMNAPKM
SCHEMBL4967035 1.00 PDK2 (0.37) PDK2NPC1RAB9ALMNAPKM
SCHEMBL14263249 0.91 HDAC1 (0.41) PDK2EPHX2KMT2AIMPDH2HDAC1
SCHEMBL4967406 0.91 HDAC1 (0.41) PDK2EPHX2KMT2AIMPDH2HDAC1
SCHEMBL4967413 0.91 HDAC1 (0.41) PDK2EPHX2KMT2AIMPDH2HDAC1
SCHEMBL4966287 0.88 NPC1 (0.41) PDK2NPC1RAB9ALMNAPKM
SCHEMBL4966906 0.86 EPHX2 (0.33) EPHX2KMT2APOLBHDAC4MEN1
SCHEMBL4966914 0.86 EPHX2 (0.33) EPHX2KMT2APOLBHDAC4MEN1
SCHEMBL4967217 0.80 IMPDH2 (0.46) PDK2NPC1RAB9ALMNAPKM
SCHEMBL4966794 0.78 RHOA (0.40) PDK2PORCNEPHX2IMPDH2HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963287-A1 GLUCOCORTICOID RECEPTOR MODULATORS AS ANTIINFLAMMATORY AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2008-09-03 EP claimed
US-7348322-B2 Glucocorticoid receptor modulators as antiinflammatory agents ROCHE PALO ALTO LLC (US) 2008-03-25 US claimed
US-20070135427-A1 Glucocorticoid receptor modulators as antiinflammatory agents ROCHE PALO ALTO LLC 2007-06-14 US claimed
WO-2007065828-A1 GLUCOCORTICOID RECEPTOR MODULATORS AS ANTIINFLAMMATORY AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2007-06-14 WO claimed
EP-1963287-A1 GLUCOCORTICOID RECEPTOR MODULATORS AS ANTIINFLAMMATORY AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2008-09-03 EP disclosed
US-7348322-B2 Glucocorticoid receptor modulators as antiinflammatory agents ROCHE PALO ALTO LLC (US) 2008-03-25 US disclosed
US-20070135427-A1 Glucocorticoid receptor modulators as antiinflammatory agents ROCHE PALO ALTO LLC 2007-06-14 US disclosed
WO-2007065828-A1 GLUCOCORTICOID RECEPTOR MODULATORS AS ANTIINFLAMMATORY AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2007-06-14 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-20070135427-A1 Glucocorticoid receptor modulators as antiinflammatory agents NR3C1, MC2R, NR3C2 PDK2 1668/4885NPC1 2266/4885RAB9A 4157/4885

“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.