SCHEMBL599770

SCHEMBL599770

CC(C)n1cc(C(=O)C(=O)NCCCN2CCC(CCO)CC2)c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.44
ACHE P22303 2/20 0.44
HTR4 Q13639 6/20 0.42
GAA P10253 1/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.40
HTT P42858 1/20 0.40
OPRL1 P41146 1/20 0.39
OPRK1 P41145 1/20 0.39

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
SCHEMBL598741 0.94 BCHE (0.46) BCHEACHEHTR4ALDH1A1RAB9A
Hydrochloric Acid SCHEMBL599500 0.94 BCHE (0.45) BCHEACHEHTR4ALDH1A1RAB9A
SCHEMBL598412 0.93 BCHE (0.44) BCHEACHEHTR4GAAALDH1A1
SCHEMBL599048 0.91 BCHE (0.44) BCHEACHEHTR4ALDH1A1RAB9A
SCHEMBL598730 0.91 GAA (0.43) BCHEACHEHTR4GAAALDH1A1
SCHEMBL598254 0.89 KDM4E (0.52) GAAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL598726 0.87 CHRM1 (0.45) BCHEACHEHTR4
SCHEMBL597820 0.87 BCHE (0.46) BCHEACHEHTR4ALDH1A1RAB9A
SCHEMBL597888 0.87 HTR4 (0.48) HTR4
SCHEMBL597470 0.86 GAA (0.55) GAAALDH1A1KDM4EHSD17B10LMNA

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 BCHE 367/4885ACHE 300/4885HTR4 7/4885
US-20100197723-A1 BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME HTR2C, HTR3A, HTR3C BCHE 367/4885ACHE 300/4885HTR4 7/4885

“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.