SCHEMBL1136870

SCHEMBL1136870

CC1(C)OB(c2ccc(N3CCOCC3)cn2)OC1(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
MAPT P10636 7/20 0.43
ALDH1A1 P00352 7/20 0.43
KDM4E B2RXH2 5/20 0.43
MEN1 O00255 3/20 0.43
HTT P42858 3/20 0.43
KMT2A Q03164 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HSD17B10 Q99714 3/20 0.43
LMNA P02545 2/20 0.43
HPGD P15428 2/20 0.43
GAA P10253 1/20 0.43
RECQL P46063 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
TP53 P04637 2/20 0.41
MAPK1 P28482 2/20 0.41
ALOX15 P16050 2/20 0.41
USP2 O75604 1/20 0.41
RAB9A P51151 3/20 0.40
CCNK O75909 1/20 0.39

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
SCHEMBL28793993 0.82 CDK4 (0.35) MAPTMEN1KMT2AALOX15CCND3
SCHEMBL29688313 0.80 CDK4 (0.38) CDK6CDK4
SCHEMBL20298095 0.80 AKR1C3 (0.41) POLBMAPTMEN1HTTKMT2A
SCHEMBL138606 0.79 LPL (0.47) MAPTALDH1A1KDM4EMEN1HTT
SCHEMBL12731668 0.78 ALDH1A1 (0.40) POLBMAPTALDH1A1KDM4EMEN1
SCHEMBL31372447 0.78 ALDH1A1 (0.40) POLBMAPTALDH1A1KDM4EMEN1
SCHEMBL30922302 0.75 FFAR1 (0.44) POLBMAPTALDH1A1KDM4EMEN1
SCHEMBL29516423 0.75 MAPT (0.51) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL15599418 0.75 MAPT (0.51) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL9989079 0.74 GAA (0.43) POLBMAPTALDH1A1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1896434-B1 SUBSTITUTED HETEROARYL AMIDE MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NFkB ACTIVITY AND USE THEREOF BRISTOL MYERS SQUIBB CO (US) 2011-02-23 EP disclosed
US-7361654-B2 Substituted heteroaryl amide modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB CO. (US) 2008-04-22 US disclosed
EP-1896434-A1 SUBSTITUTED HETEROARYL AMIDE MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NFkB ACTIVITY AND USE THEREOF Bristol-Myers Squibb Pharma Company (US) 2008-03-12 EP disclosed
WO-2006076632-A1 SUBSTITUTED HETEROARYL AMIDE MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NFκB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-20 WO disclosed
US-20060154973-A1 Substituted heteroaryl amide modulators of glucocorticoid receptor, AP-1, and/or NF-kB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY 2006-07-13 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-20060154973-A1 Substituted heteroaryl amide modulators of glucocorticoid receptor, AP-1, and/or NF-kB activity and use thereof NFRKB, NFKB2, NFKB1 POLB 2751/4885MAPT 3065/4885ALDH1A1 4114/4885

“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.