SCHEMBL12364166

SCHEMBL12364166

Cn1ccnc1OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.42
CHRNA4 P43681 1/20 0.42
LPO P22079 1/20 0.41
KMT2A Q03164 4/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
ALOX12 P18054 1/20 0.33
HSD17B10 Q99714 1/20 0.33
FDPS P14324 2/20 0.33
MEN1 O00255 2/20 0.32
RIPK1 Q13546 1/20 0.31
HTT P42858 1/20 0.31
POLB P06746 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
SCHEMBL27703181 0.80 CHRNB2 (0.45) CHRNB2CHRNA4LPOKMT2AALDH1A1
SCHEMBL2516063 0.75
SCHEMBL20195592 0.73
SCHEMBL4918147 0.72 CHRNB2 (0.41) CHRNB2CHRNA4LPOKMT2AKDM4E
SCHEMBL2513335 0.71
SCHEMBL17115289 0.70
Hydrochloric Acid SCHEMBL28150747 0.70 CHRNB2 (0.50) CHRNB2CHRNA4LPOKMT2AKDM4E
SCHEMBL12701548 0.70 CHRNB2 (0.50) CHRNB2CHRNA4LPOKMT2AKDM4E
SCHEMBL27788080 0.70
Hydrochloric Acid SCHEMBL28178521 0.70 CHRNB2 (0.50) CHRNB2CHRNA4LPOKMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101065502-B Microarray-mediated diagnosis of herpes virus infection by monitoring host's differential gene expression upon infection ATHLOMICS PTY LTD 2012-06-06 CN disclosed
US-20110206783-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2011-08-25 US disclosed
CN-101535179-A Activated carbon and method for producing the same SUMITOMO CHEMICAL CO (JP) 2009-09-16 CN disclosed
CN-101184691-A Electric double layer capacitor SUMITOMO CHEMICAL CO (JP) 2008-05-21 CN disclosed
CN-101065502-A Microarray-mediated diagnosis of herpes virus infection by monitoring host's differential gene expression upon infection ATHLOMICS PTY LTD (AU) 2007-10-31 CN disclosed
CN-1694621-A Immunostimulatory G, U-containing oligoribonucleotides COLEY PHARM GMBH (DE) 2005-11-09 CN 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 (1 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-20110206783-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 CHRNB2 240/4885CHRNA4 102/4885LPO 4416/4885

“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.