SCHEMBL3577321

SCHEMBL3577321

CCNCC1CCC(C(=O)OC)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SAT1 P21673 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
GAA P10253 1/20 0.42
TP53 P04637 1/20 0.41
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
TDP1 Q9NUW8 1/20 0.36
CHRNB2 P17787 2/20 0.36
CHRNA4 P43681 2/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA7 P36544 1/20 0.36
HPGD P15428 1/20 0.36
POLB P06746 1/20 0.36
GNRHR P30968 1/20 0.35
PPM1B O75688 1/20 0.34
PTPN1 P18031 1/20 0.34
PPP1CC P36873 1/20 0.34

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
SCHEMBL3577318 1.00 SAT1 (0.46) SAT1MEN1KMT2AGAATP53
SCHEMBL23776389 0.89 ALDH1A1 (0.44) SAT1MEN1KMT2AGAATP53
SCHEMBL3574409 0.85 MEN1 (0.59) SAT1MEN1KMT2AGAAALDH1A1
SCHEMBL3574412 0.85 MEN1 (0.59) SAT1MEN1KMT2AGAAALDH1A1
SCHEMBL5543322 0.84 GAA (0.47) MEN1KMT2AGAATP53ALDH1A1
SCHEMBL358775 0.84 GAA (0.47) MEN1KMT2AGAATP53ALDH1A1
SCHEMBL15200264 0.84 GAA (0.47) MEN1KMT2AGAATP53ALDH1A1
SCHEMBL14175234 0.82 KMT2A (0.42) MEN1KMT2AGAATP53ALDH1A1
SCHEMBL9640173 0.82 KMT2A (0.42) MEN1KMT2AGAATP53ALDH1A1
Hydrochloric Acid SCHEMBL27282102 0.82 GAA (0.46) MEN1KMT2AGAATP53ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1973889-B1 CETP INHIBITORS MERCK SHARP & DOHME (US) 2016-08-24 EP disclosed
US-8759365-B2 Organic compounds NOVARTIS AG (CH) 2014-06-24 US disclosed
US-8759365-B2 Organic compounds NOVARTIS AG (CH) 2014-06-24 US disclosed
EP-2404901-A1 1,2-Disubstituted 4-benzylamino-pyrrolidine derivatives as CETP inhibitors useful for the treatment of diseases such as hyperlipidemia or arteriosclerosis Novartis AG (CH) 2012-01-11 EP disclosed
EP-2229356-B1 1,2-DISUBSTITUTED-4-BENZYLAMINO-PYRROLIDINE DERIVATIVES AS CETP INHIBITORS USEFUL FOR THE TREATMENT OF DISEASES SUCH AS HYPERLI PIDEMIA OR ARTERIOSCLEROSIS NOVARTIS AG (CH) 2011-10-12 EP disclosed
US-20100311750-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-12-09 US disclosed
US-20100311750-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-12-09 US disclosed
US-7781426-B2 cholesterol ester transfer protein (CETP) inhibitors such as (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[2-(3,3-dimethylpiperidin-1-yl)-5-(trifluoromethyl)benzyl]-4-methyl-1,3-oxazolidin-2-one, useful for raising HDL-cholesterol, reducing LDL-cholesterol, and for treating or preventing atherosclerosis MERCK SHARP & DOHME CORP. (US) 2010-08-24 US disclosed
WO-2009071509-A1 1,2-DISUBSTITUTED-4-BENZYLAMINO-PYRROLIDINE DERIVATIVES AS CETP INHIBITORS USEFUL FOR THE TREATMENT OF DISEASES SUCH AS HYPERLI PIDEMIA OR ARTERIOSCLEROSIS NOVARTIS AG (CH) 2009-06-11 WO disclosed
US-20090075979-A1 CETP Inhibitors MERCK SHARP & DOHME LLC 2009-03-19 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 (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-20090075979-A1 CETP Inhibitors CETP, APOB, MTTP SAT1 138/4885MEN1 3533/4885KMT2A 1880/4885
US-20100311750-A1 ORGANIC COMPOUNDS CETP, NPC1, CES1 SAT1 523/4885MEN1 2834/4885KMT2A 3284/4885

“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.