SCHEMBL355023

SCHEMBL355023

CC(N)C1CCC(C(C)(C)C)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.32
KCNH2 Q12809 2/20 0.32
HRH3 Q9Y5N1 1/20 0.32
HTT P42858 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
EPHX1 P07099 1/20 0.31
ROCK2 O75116 3/20 0.31
ROCK1 Q13464 3/20 0.31
PKN2 Q16513 3/20 0.31
RPS6KA5 O75582 2/20 0.31
LRRK2 Q5S007 2/20 0.31
TP53 P04637 2/20 0.31
CYP3A4 P08684 2/20 0.31
CHUK O15111 1/20 0.31
PRKD3 O94806 1/20 0.31
CDK1 P06493 1/20 0.31
CDK2 P24941 1/20 0.31
LTK P29376 1/20 0.31
CDK8 P49336 1/20 0.31

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
SCHEMBL12169657 0.83 ALDH1A1 (0.41) CYP2D6KCNH2HTTROCK2ROCK1
SCHEMBL133489 0.81
SCHEMBL164676 0.81
SCHEMBL511273 0.81
SCHEMBL635168 0.81 ROCK2 (0.37) CYP2D6KCNH2HTTROCK2ROCK1
SCHEMBL17057156 0.79 CYP2D6 (0.34) CYP2D6KCNH2HRH3HTTMEN1
Hydrochloric Acid SCHEMBL591300 0.78
Hydrochloric Acid SCHEMBL3508127 0.78
Hydrochloric Acid SCHEMBL3506353 0.78
SCHEMBL24324448 0.75 CYP2D6 (0.32) CYP2D6KCNH2HRH3HTTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10913897-B2 Compounds and liquid-crystalline medium MERCK PATENT GMBH (DE) 2021-02-09 US disclosed
US-20180216005-A1 COMPOUNDS AND LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2018-08-02 US disclosed
US-20140329746-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2014-11-06 US disclosed
US-8835654-B2 Method and compositions for treating amyloid-related diseases BHI LIMITED PARTNERSHIP (CA) 2014-09-16 US disclosed
US-20140107027-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES BHI LIMITED PARTNERSHIP (CA) 2014-04-17 US disclosed
US-8642801-B2 Methods and compositions for treating amyloid-related diseases BHI LIMITED PARTNERSHIP (CA) 2014-02-04 US disclosed
US-20120015911-A1 METHOD AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES BELLUS HEALTH INC. (CA) 2012-01-19 US disclosed
US-8044100-B2 Methods and compositions for treating amyloid-related diseases BELLUS HEALTH INC. (CA) 2011-10-25 US disclosed
US-20100113591-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) 2010-05-06 US disclosed
EP-1836161-A2 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES Neurochem (International) Limited (CH) 2007-09-26 EP disclosed
US-20070010573-A1 Methods and compositions for treating amyloid-related diseases BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) 2007-01-11 US disclosed
US-20060223855-A1 reduces or inhibits amyloid fibril formation, organ specific dysfunction (e.g., neurodegeneration), or cellular toxicity NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2006-10-05 US disclosed
WO-2006085149-A2 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2006-08-17 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 (8 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-10913897-B2 Compounds and liquid-crystalline medium VIM, NEFM, AQP1 CYP2D6 3907/4885KCNH2 143/4885HRH3 3559/4885
US-20060223855-A1 reduces or inhibits amyloid fibril formation, organ specific dysfunction (e.g., neurodegeneration), or cellular toxicity APP, IAPP, BACE1 CYP2D6 3756/4885KCNH2 4015/4885HRH3 2897/4885
US-20180216005-A1 COMPOUNDS AND LIQUID-CRYSTALLINE MEDIUM VIM, NEFM, AQP1 CYP2D6 3907/4885KCNH2 143/4885HRH3 3559/4885
US-20140329746-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 CYP2D6 3675/4885KCNH2 3255/4885HRH3 1504/4885
US-20140107027-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 CYP2D6 3675/4885KCNH2 3255/4885HRH3 1504/4885
US-20100113591-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 CYP2D6 3675/4885KCNH2 3255/4885HRH3 1504/4885
US-20120015911-A1 METHOD AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 CYP2D6 2897/4885KCNH2 3263/4885HRH3 1662/4885
US-20070010573-A1 Methods and compositions for treating amyloid-related diseases APP, PSEN1, PSEN2 CYP2D6 3675/4885KCNH2 3255/4885HRH3 1504/4885

“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.