SCHEMBL10209754

SCHEMBL10209754

CN(C)C[C@@H](N)[C@H](O)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.62
SLC6A4 P31645 4/20 0.62
SLC6A3 Q01959 4/20 0.62
AOC3 Q16853 7/20 0.56
HTR2A P28223 1/20 0.55
HRH1 P35367 1/20 0.55
KDM4E B2RXH2 2/20 0.53
ADRA2A P08913 1/20 0.53
ADRA2C P18825 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
LMNA P02545 1/20 0.53
HIF1A Q16665 1/20 0.53
ALDH1A1 P00352 2/20 0.52
KCNH2 Q12809 1/20 0.51

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
SCHEMBL14185970 0.80 HTR2A (0.59) SLC6A2SLC6A4SLC6A3AOC3HTR2A
SCHEMBL804251 0.79 AOC3 (0.70) SLC6A2SLC6A4SLC6A3AOC3HTR2A
SCHEMBL907809 0.79 AOC3 (0.70) SLC6A2SLC6A4SLC6A3AOC3HTR2A
SCHEMBL907640 0.79 AOC3 (0.70) SLC6A2SLC6A4SLC6A3AOC3HTR2A
SCHEMBL9683219 0.78 SLC6A2 (0.65) SLC6A2SLC6A4SLC6A3AOC3HTR2A
SCHEMBL6107257 0.78 SLC6A2 (0.65) SLC6A2SLC6A4SLC6A3AOC3HTR2A
Hydrochloric Acid SCHEMBL7244349 0.78 AOC3 (0.68) SLC6A2SLC6A4SLC6A3AOC3HTR2A
SCHEMBL837417 0.78 KDM4E (0.59) SLC6A2SLC6A4SLC6A3AOC3KDM4E
SCHEMBL5172179 0.78 KDM4E (0.59) SLC6A2SLC6A4SLC6A3AOC3KDM4E
SCHEMBL9190252 0.78 KDM4E (0.59) SLC6A2SLC6A4SLC6A3AOC3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2064192-B1 COMPOUNDS AND METHODS FOR INHIBITING THE INTERACTION OF BCL PROTEINS WITH BINDING PARTNERS INFINITY DISCOVERY INC (US) 2014-05-14 EP disclosed
US-20130131063-A1 Compounds and Methods for Inhibiting the Interaction of BCL Proteins with Binding Partners INFINITY PHARMACEUTICALS, INC. (US) 2013-05-23 US disclosed
US-20130131063-A1 Compounds and Methods for Inhibiting the Interaction of BCL Proteins with Binding Partners INFINITY PHARMACEUTICALS, INC. (US) 2013-05-23 US disclosed
US-8178690-B2 Compounds and methods for inhibiting the interaction of BCL proteins with binding partners INFINITY PHARMACEUTICALS, INC. (US) 2012-05-15 US disclosed
US-8178690-B2 Compounds and methods for inhibiting the interaction of BCL proteins with binding partners INFINITY PHARMACEUTICALS, INC. (US) 2012-05-15 US disclosed
US-20110213145-A1 Compounds and Methods for Inhibiting the Interaction of BCL Proteins with Binding Partners INFINITY DISCOVERY, INC. (US) 2011-09-01 US disclosed
US-20110213145-A1 Compounds and Methods for Inhibiting the Interaction of BCL Proteins with Binding Partners INFINITY DISCOVERY, INC. (US) 2011-09-01 US disclosed
US-7928244-B2 Isoxazolidine small molecules; cancer, hyperproliferation disorders; blocking antiapoptotic function INFINITY DISCOVERY, INC. (US) 2011-04-19 US disclosed
US-7928244-B2 Isoxazolidine small molecules; cancer, hyperproliferation disorders; blocking antiapoptotic function INFINITY DISCOVERY, INC. (US) 2011-04-19 US disclosed
US-20080114167-A1 Compounds and Methods for Inhibiting the Interaction of BCL Proteins with Binding Partners INFINITY DISCOVERY, INC. (US) 2008-05-15 US disclosed
US-20080114167-A1 Compounds and Methods for Inhibiting the Interaction of BCL Proteins with Binding Partners INFINITY DISCOVERY, INC. (US) 2008-05-15 US disclosed
WO-2008024337-A2 COMPOUNDS AND METHODS FOR INHIBITING THE INTERACTION OF BCL PROTEINS WITH BINDING PARTNERS INFINITY DISCOVERY, INC. (US) 2008-02-28 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 (3 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-20110213145-A1 Compounds and Methods for Inhibiting the Interaction of BCL Proteins with Binding Partners BCL2, BCL2L1, BCL2L11 SLC6A2 3622/4885SLC6A4 3248/4885SLC6A3 3432/4885
US-20080114167-A1 Compounds and Methods for Inhibiting the Interaction of BCL Proteins with Binding Partners BCL2, BCL2L1, BCL2L11 SLC6A2 3622/4885SLC6A4 3248/4885SLC6A3 3432/4885
US-20130131063-A1 Compounds and Methods for Inhibiting the Interaction of BCL Proteins with Binding Partners BCL2, BCL2L1, BCL2L11 SLC6A2 3622/4885SLC6A4 3248/4885SLC6A3 3432/4885

“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.