SCHEMBL1618758

SCHEMBL1618758

CN[C@@H](Cc1ccccc1)CN(C)C

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.52
SLC18A2 Q05940 1/20 0.52
SIGMAR1 Q99720 1/20 0.52
OPRK1 P41145 9/20 0.51
OPRD1 P41143 8/20 0.51
HTR2A P28223 2/20 0.45
HRH1 P35367 1/20 0.45
EPHX1 P07099 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
ADRA1A P35348 1/20 0.43
SLC6A3 Q01959 1/20 0.43
KCNH2 Q12809 1/20 0.43

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
SCHEMBL13060794 1.00 TAAR1 (0.52) TAAR1SLC18A2SIGMAR1OPRK1OPRD1
SCHEMBL1618760 1.00 TAAR1 (0.52) TAAR1SLC18A2SIGMAR1OPRK1OPRD1
SCHEMBL1697045 0.83 SIGMAR1 (0.64) TAAR1SLC18A2SIGMAR1EPHX1SLC6A2
SCHEMBL13061073 0.81 TAAR1 (0.47) TAAR1SLC18A2SIGMAR1HTR2AHRH1
SCHEMBL13006637 0.81 SIGMAR1 (0.47) TAAR1SLC18A2SIGMAR1OPRK1HTR2A
SCHEMBL23137160 0.81 HTR2A (0.42) TAAR1SLC18A2SIGMAR1OPRK1HTR2A
SCHEMBL13006613 0.81 SIGMAR1 (0.47) TAAR1SLC18A2SIGMAR1OPRK1HTR2A
SCHEMBL10759142 0.81 SIGMAR1 (0.55) SIGMAR1HTR2AHRH1SLC6A4
SCHEMBL13061188 0.81 TAAR1 (0.47) TAAR1SLC18A2SIGMAR1HTR2AHRH1
SCHEMBL693965 0.80 MAPK1 (0.57) TAAR1SLC18A2SIGMAR1OPRK1OPRD1

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 20 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
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-8609706-B2 Compounds and methods for inhibiting the interaction of BCL proteins with binding partners INFINITY DISCOVERY, INC. (US) 2013-12-17 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-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-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-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-7928244-B2 Isoxazolidine small molecules; cancer, hyperproliferation disorders; blocking antiapoptotic function INFINITY DISCOVERY, INC. (US) 2011-04-19 US disclosed
US-7851637-B2 Compounds and methods for inhibiting the interaction of BCL proteins with binding partners INFINITY PHARMACEUTICALS, INC. (US) 2010-12-14 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
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 TAAR1 4799/4885SLC18A2 4430/4885SIGMAR1 4268/4885
US-20080114167-A1 Compounds and Methods for Inhibiting the Interaction of BCL Proteins with Binding Partners BCL2, BCL2L1, BCL2L11 TAAR1 4799/4885SLC18A2 4430/4885SIGMAR1 4268/4885
US-20130131063-A1 Compounds and Methods for Inhibiting the Interaction of BCL Proteins with Binding Partners BCL2, BCL2L1, BCL2L11 TAAR1 4799/4885SLC18A2 4430/4885SIGMAR1 4268/4885

“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.