SCHEMBL4154656

SCHEMBL4154656

CCN(C)C(=O)c1cc(F)ccc1C

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
TSHR P16473 1/20 0.40
GRIN2B Q13224 2/20 0.40
RIPK1 Q13546 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
HPGD P15428 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
KEAP1 Q14145 1/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36

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
SCHEMBL1034975 0.85 HPGD (0.49) KMT2ATSHRSMN1; SMN2CES2CES1
SCHEMBL4158939 0.82 CES2 (0.44) KMT2ASMN1; SMN2CES2CES1HPGD
SCHEMBL15218738 0.81 CES2 (0.53) KMT2ARIPK1CES2CES1L3MBTL1
SCHEMBL27643700 0.75 CES2 (0.44) KMT2ATSHRSMN1; SMN2CES2CES1
SCHEMBL15343524 0.75 KMT2A (0.67) KMT2ATSHRHPGDALDH1A1
SCHEMBL14648310 0.75 MAPT (0.43) KMT2ATSHRHPGDALDH1A1MAPT
SCHEMBL14415777 0.74 CES2 (0.50) KMT2ASMN1; SMN2CES2CES1HPGD
SCHEMBL24163384 0.74 HPGD (0.39) KMT2ATSHRSMN1; SMN2HPGDALDH1A1
SCHEMBL15218743 0.73 NSD2 (0.54) KMT2ASMN1; SMN2CES2CES1ALDH1A1
SCHEMBL12213211 0.72 SMN1; SMN2 (0.50) KMT2ASMN1; SMN2HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105292-A9 Glucocorticoid Receptor Modulator Compounds and Methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2009-04-23 US disclosed
US-20070281959-A1 Glucocorticoid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2007-12-06 US disclosed
CN-1950375-A Glucocorticoid receptor modulator compounds and methods- utility LIGAND PHARM INC (US) 2007-04-18 CN 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 (2 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-20090105292-A9 Glucocorticoid Receptor Modulator Compounds and Methods NR3C1, NR3C2, MC2R KMT2A 4088/4885TSHR 244/4885GRIN2B 147/4885
US-20070281959-A1 Glucocorticoid receptor modulator compounds and methods NR3C1, NR3C2, MC2R KMT2A 4088/4885TSHR 244/4885GRIN2B 147/4885

“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.