SCHEMBL1103853

SCHEMBL1103853

OCC1CCN(c2ccc(C(F)(F)F)cn2)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.64
LMNA P02545 2/20 0.64
ABL1 P00519 1/20 0.64
CYP3A4 P08684 2/20 0.55
SMN1; SMN2 Q16637 3/20 0.53
HPGD P15428 1/20 0.53
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
KMT2A Q03164 1/20 0.53
GPR119 Q8TDV5 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
TMEM97 Q5BJF2 1/20 0.52
SIGMAR1 Q99720 1/20 0.52
L3MBTL1 Q9Y468 3/20 0.52
CHRM4 P08173 1/20 0.52
MAPT P10636 3/20 0.51
LIPE Q05469 1/20 0.51
HRH3 Q9Y5N1 1/20 0.50
CHRM2 P08172 1/20 0.49

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
SCHEMBL30233640 0.90 KDM4E (0.62) KDM4ELMNAABL1CYP3A4SMN1; SMN2
SCHEMBL12419695 0.90 KDM4E (0.62) KDM4ELMNAABL1CYP3A4SMN1; SMN2
SCHEMBL3646380 0.86 KDM4E (0.64) KDM4ELMNAABL1CYP3A4SMN1; SMN2
SCHEMBL26121794 0.84 KDM4E (0.65) KDM4ELMNAABL1CYP3A4SMN1; SMN2
SCHEMBL30286061 0.84 KDM4E (0.65) KDM4ELMNAABL1CYP3A4SMN1; SMN2
SCHEMBL26134948 0.84 KDM4E (0.65) KDM4ELMNAABL1CYP3A4SMN1; SMN2
SCHEMBL30567092 0.84 KDM4E (0.68) KDM4ELMNAABL1CYP3A4SMN1; SMN2
SCHEMBL1244712 0.84 KDM4E (0.68) KDM4ELMNAABL1CYP3A4SMN1; SMN2
SCHEMBL756950 0.83 KDM4E (0.60) KDM4ELMNAABL1CYP3A4SMN1; SMN2
SCHEMBL13083094 0.83 LMNA (0.57) KDM4ELMNAABL1CYP3A4SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1954287-B2 CETP INHIBITORS MERCK SHARP & DOHME (US) 2016-02-24 EP disclosed
US-8334290-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2012-12-18 US disclosed
US-8258156-B2 Compounds and compositions as modulators of GPR119 activity IRM LLC (BM) 2012-09-04 US disclosed
US-8258156-B2 Compounds and compositions as modulators of GPR119 activity IRM LLC (BM) 2012-09-04 US disclosed
US-20120196844-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2012-08-02 US disclosed
US-20120196844-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2012-08-02 US disclosed
US-8153635-B2 Compounds and compositions as modulators of GPR119 activity IRM LLC (BM) 2012-04-10 US disclosed
US-8153635-B2 Compounds and compositions as modulators of GPR119 activity IRM LLC (BM) 2012-04-10 US disclosed
EP-1954287-B1 CETP INHIBITORS MERCK SHARP & DOHME (US) 2011-11-16 EP disclosed
US-20110262658-A1 PROCESS AND DEVICE FOR TREATING THE COATING OF THERMOPLASTIC RESIN CONTAINERS ZOPPAS MATTEO 2011-10-27 US disclosed
US-20110224185-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC, a Delaware Limited Company (BM) 2011-09-15 US disclosed
US-20110224185-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC, a Delaware Limited Company (BM) 2011-09-15 US disclosed
US-7671201-B2 Phenyl substituted cyclic derivatives FMC CORPORATION (US) 2010-03-02 US disclosed
US-20090270409-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2009-10-29 US disclosed
US-20090270409-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2009-10-29 US disclosed
US-20090264405-A1 Cetp Inhibitors MERCK SHARP & DOHME LLC 2009-10-22 US disclosed
US-20060270726-A1 Phenyl substituted cyclic derivatives FMC CORPORATION 2006-11-30 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 (5 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-20090264405-A1 Cetp Inhibitors CETP, APOB, PCSK9 KDM4E 3316/4885LMNA 447/4885ABL1 4731/4885
US-20060270726-A1 Phenyl substituted cyclic derivatives DDT, L3MBTL4, L3MBTL3 KDM4E 1758/4885LMNA 798/4885ABL1 4436/4885
US-20110224185-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY GPR119, GPR65, GPR39 KDM4E 3454/4885LMNA 3232/4885ABL1 2878/4885
US-20090270409-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY GPR119, GPR65, GPR39 KDM4E 3454/4885LMNA 3232/4885ABL1 2878/4885
US-20120196844-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY GPR119, GPR65, GPR39 KDM4E 3454/4885LMNA 3232/4885ABL1 2878/4885

“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.