SCHEMBL3783822

SCHEMBL3783822

CC(C)(C)N(CC1CCN(c2ccc(C(F)(F)F)cn2)CC1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.57
LMNA P02545 2/20 0.57
ABL1 P00519 1/20 0.57
PKM P14618 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
HPGD P15428 1/20 0.51
ALDH1A1 P00352 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
MAPT P10636 4/20 0.50
CYP3A4 P08684 2/20 0.50
CHRM4 P08173 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
HRH3 Q9Y5N1 1/20 0.48
HSD11B1 P28845 2/20 0.48
CHRM2 P08172 1/20 0.48
CHRM1 P11229 1/20 0.48
TP53 P04637 1/20 0.48
POLB P06746 1/20 0.47
GPR119 Q8TDV5 1/20 0.47

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
SCHEMBL1733915 0.84 KDM4E (0.61) KDM4ELMNAABL1PKMSMN1; SMN2
SCHEMBL3644097 0.83 NOTUM (0.51) LMNAMAPTCYP3A4CHRM4HRH3
SCHEMBL1729795 0.81 LMNA (0.60) KDM4ELMNAABL1PKMSMN1; SMN2
SCHEMBL26134948 0.80 KDM4E (0.65) KDM4ELMNAABL1SMN1; SMN2HPGD
SCHEMBL26121794 0.80 KDM4E (0.65) KDM4ELMNAABL1SMN1; SMN2HPGD
SCHEMBL30286061 0.80 KDM4E (0.65) KDM4ELMNAABL1SMN1; SMN2HPGD
SCHEMBL1261522 0.80 KDM4E (0.56) KDM4ELMNAABL1SMN1; SMN2HPGD
SCHEMBL1103853 0.80 KDM4E (0.64) KDM4ELMNAABL1SMN1; SMN2HPGD
SCHEMBL30233640 0.79 KDM4E (0.62) KDM4ELMNAABL1SMN1; SMN2HPGD
SCHEMBL12419695 0.79 KDM4E (0.62) KDM4ELMNAABL1SMN1; SMN2HPGD

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-2170058-B1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES MERCK SHARP & DOHME (US) 2013-07-03 EP disclosed
US-8445480-B2 CETP inhibitors derived from benzoxazole arylamides MERCK SHARP & DOHME CORP. (US) 2013-05-21 US disclosed
US-20100298288-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES MERCK & CO., INC (US) 2010-11-25 US disclosed
EP-2170058-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES Merck Sharp & Dohme Corp. (US) 2010-04-07 EP disclosed
WO-2008156715-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES MERCK & CO., INC. (US) 2008-12-24 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-20100298288-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES CETP, APOB, MTTP KDM4E 1621/4885LMNA 382/4885ABL1 2871/4885

“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.