SCHEMBL599146

SCHEMBL599146

CCC(C)n1cc(C(=O)C(=O)NCCCN2CCCCC2)c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.49
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 2/20 0.47
HSD17B10 Q99714 2/20 0.47
MAPT P10636 1/20 0.47
RAD52 P43351 1/20 0.47
HTT P42858 2/20 0.44
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
OPRK1 P41145 1/20 0.41
HTR7 P34969 1/20 0.41

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
SCHEMBL599307 1.00 GAA (0.49) GAAALDH1A1SMN1; SMN2KDM4EHSD17B10
SCHEMBL599717 1.00 GAA (0.49) GAAALDH1A1SMN1; SMN2KDM4EHSD17B10
SCHEMBL598399 0.94 ALDH1A1 (0.46) GAAALDH1A1SMN1; SMN2KDM4EHSD17B10
SCHEMBL599035 0.94 ALDH1A1 (0.46) GAAALDH1A1SMN1; SMN2KDM4EHSD17B10
SCHEMBL598400 0.94 ALDH1A1 (0.46) GAAALDH1A1SMN1; SMN2KDM4EHSD17B10
Hydrochloric Acid SCHEMBL598790 0.93 KDM4E (0.47) GAAALDH1A1SMN1; SMN2KDM4EHSD17B10
SCHEMBL599151 0.91 GAA (0.54) GAAALDH1A1SMN1; SMN2KDM4EHSD17B10
Hydrochloric Acid SCHEMBL599754 0.90 GAA (0.53) GAAALDH1A1SMN1; SMN2KDM4EHSD17B10
SCHEMBL597470 0.90 GAA (0.55) GAAALDH1A1SMN1; SMN2KDM4EHSD17B10
SCHEMBL598773 0.88 GAA (0.51) GAAALDH1A1SMN1; SMN2KDM4EHSD17B10

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 GAA 4267/4885ALDH1A1 1162/4885SMN1; SMN2 3806/4885
US-20100197723-A1 BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME HTR2C, HTR3A, HTR3C GAA 4267/4885ALDH1A1 1162/4885SMN1; SMN2 3806/4885

“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.