SCHEMBL2996024

SCHEMBL2996024

CN(C)CCc1c[nH]c2ccc(C=NNC(=O)OCc3ccccc3)cc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 6/20 0.55
TRPM8 Q7Z2W7 2/20 0.55
MIF P14174 1/20 0.53
HTR1B P28222 5/20 0.49
HTR1A P08908 4/20 0.49
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
TP53 P04637 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
TSHR P16473 1/20 0.49
LMNA P02545 1/20 0.49
PMP22 Q01453 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
SLC6A4 P31645 2/20 0.48
HTR2A P28223 2/20 0.48
HTR2C P28335 2/20 0.48
KMT2A Q03164 2/20 0.48
ADRA2A P08913 1/20 0.48
ADRA2B P18089 1/20 0.48

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
SCHEMBL2996022 1.00 HTR1D (0.55) HTR1DTRPM8MIFHTR1BHTR1A
SCHEMBL2993313 0.86 KMT2A (0.55) HTR1DHTR1BHTR1AKDM4EALDH1A1
SCHEMBL2993315 0.86 KMT2A (0.55) HTR1DHTR1BHTR1AKDM4EALDH1A1
Hydrochloric Acid SCHEMBL3001041 0.86 KMT2A (0.54) HTR1DHTR1BHTR1AKDM4EALDH1A1
SCHEMBL3000908 0.85 HTR1D (0.54) HTR1DHTR1BHTR1AKDM4EALDH1A1
SCHEMBL3000905 0.85 HTR1D (0.54) HTR1DHTR1BHTR1AKDM4EALDH1A1
SCHEMBL3000105 0.83 HTR1D (0.53) HTR1DMIFHTR1BHTR1AKDM4E
SCHEMBL3000108 0.83 HTR1D (0.53) HTR1DMIFHTR1BHTR1AKDM4E
SCHEMBL13209506 0.82 HTR1D (0.57) HTR1DHTR1BHTR1AKDM4EALDH1A1
SCHEMBL10548535 0.76 TRPM8 (0.54) TRPM8MIFHTR1AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7786156-B2 Synthesis methods and intermediates for the manufacture of Rizatriptan RATIOPHARM GMBH (DE) 2010-08-31 US disclosed
US-7786156-B2 Synthesis methods and intermediates for the manufacture of Rizatriptan RATIOPHARM GMBH (DE) 2010-08-31 US disclosed
EP-1751104-B1 SYNTHESIS METHODS AND INTERMEDIATES FOR THE MANUFACTURE OF RIZATRIPTAN RATIOPHARM GMBH (DE) 2010-03-24 EP disclosed
US-20070123711-A1 Synthesis methods and intermediates for the manufacture of rizatriptan RATIOPHARM GMBH (DE) 2007-05-31 US disclosed
US-20070123711-A1 Synthesis methods and intermediates for the manufacture of rizatriptan RATIOPHARM GMBH (DE) 2007-05-31 US disclosed
EP-1751104-A1 SYNTHESIS METHODS AND INTERMEDIATES FOR THE MANUFACTURE OF RIZATRIPTAN ratiopharm GmbH (DE) 2007-02-14 EP disclosed
WO-2005075422-A1 SYNTHESIS METHODS AND INTERMEDIATES FOR THE MANUFACTURE OF RIZATRIPTAN RATIOPHARM GMBH (DE) 2005-08-18 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 (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-20070123711-A1 Synthesis methods and intermediates for the manufacture of rizatriptan HTR7, HRH4, CA7 HTR1D 48/4885TRPM8 380/4885MIF 1987/4885

“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.