SCHEMBL598254

SCHEMBL598254

CC1CCN(CCCNC(=O)C(=O)c2cn(C(C)C)c3ccccc23)CC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.52
ALDH1A1 P00352 3/20 0.52
HPGD P15428 3/20 0.52
HSD17B10 Q99714 3/20 0.52
CYP2D6 P10635 1/20 0.48
HTR7 P34969 3/20 0.47
LMNA P02545 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TP53 P04637 2/20 0.46
GAA P10253 2/20 0.45
MEN1 O00255 2/20 0.44
MAPK1 P28482 2/20 0.44
KMT2A Q03164 2/20 0.44
GLA P06280 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
SHMT2 P34897 1/20 0.43
JAK2 O60674 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL598681 0.94 SHMT2 (0.48) KDM4EALDH1A1HPGDHSD17B10CYP2D6
SCHEMBL598730 0.90 GAA (0.43) KDM4EALDH1A1HPGDHSD17B10CYP2D6
SCHEMBL597470 0.90 GAA (0.55) KDM4EALDH1A1HSD17B10HTR7LMNA
SCHEMBL599151 0.89 GAA (0.54) KDM4EALDH1A1HSD17B10CYP2D6HTR7
SCHEMBL599770 0.89 BCHE (0.44) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL598412 0.89 BCHE (0.44) KDM4EALDH1A1HPGDHSD17B10LMNA
Hydrochloric Acid SCHEMBL599754 0.88 GAA (0.53) KDM4EALDH1A1HSD17B10CYP2D6HTR7
SCHEMBL598822 0.87 LMNA (0.57) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL598695 0.86 ALDH1A1 (0.43) ALDH1A1CYP2D6LMNASMN1; SMN2SHMT2
SCHEMBL598773 0.86 GAA (0.51) KDM4EALDH1A1HSD17B10HTR7SMN1; 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2445877-B1 BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME NANOTHERAPEUTICS INC (US) 2014-07-23 EP claimed
EP-2445877-A2 BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME Nanotherapeutics, Inc. (US) 2012-05-02 EP claimed
US-8114894-B2 Bicyclic compounds and methods of making and using same NANOTHERAPEUTICS, INC. (US) 2012-02-14 US claimed
US-20100197723-A1 BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME NANOSHIFT, LLC 2010-08-05 US claimed
WO-2010065743-A2 BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME NANOTHERAPEUTICS, INC. (US) 2010-06-10 WO claimed
EP-2445877-B1 BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME NANOTHERAPEUTICS INC (US) 2014-07-23 EP disclosed
EP-2445877-A2 BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME Nanotherapeutics, Inc. (US) 2012-05-02 EP disclosed
US-20120088793-A1 Bicyclic Compounds and Methods of Making and Using Same NANOTHERAPEUTICS, INC. 2012-04-12 US disclosed
US-8114894-B2 Bicyclic compounds and methods of making and using same NANOTHERAPEUTICS, INC. (US) 2012-02-14 US disclosed
US-20100197723-A1 BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME NANOSHIFT, LLC 2010-08-05 US disclosed
WO-2010065743-A2 BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME NANOTHERAPEUTICS, INC. (US) 2010-06-10 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 (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-20120088793-A1 Bicyclic Compounds and Methods of Making and Using Same HTR2C, HTR3A, HTR3C KDM4E 2763/4885ALDH1A1 1162/4885HPGD 626/4885
US-20100197723-A1 BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME HTR2C, HTR3A, HTR3C KDM4E 2763/4885ALDH1A1 1162/4885HPGD 626/4885

“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.