SCHEMBL3000905

SCHEMBL3000905

CC(C)COC(=O)N/N=C/c1ccc2[nH]cc(CCN(C)C)c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 8/20 0.54
HTR1B P28222 7/20 0.54
HTR1A P08908 5/20 0.48
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 2/20 0.48
CYP1A2 P05177 2/20 0.48
TP53 P04637 1/20 0.48
CYP3A4 P08684 1/20 0.48
TSHR P16473 1/20 0.48
LMNA P02545 1/20 0.48
PMP22 Q01453 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.47
RGS12 O14924 1/20 0.47
GAA P10253 1/20 0.47
HTR2A P28223 2/20 0.47
HTR2C P28335 2/20 0.47
SLC6A4 P31645 1/20 0.47
MAPT P10636 1/20 0.46

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
SCHEMBL3000908 1.00 HTR1D (0.54) HTR1DHTR1BHTR1AALDH1A1KDM4E
SCHEMBL2993313 0.88 KMT2A (0.55) HTR1DHTR1BHTR1AALDH1A1KDM4E
SCHEMBL2993315 0.88 KMT2A (0.55) HTR1DHTR1BHTR1AALDH1A1KDM4E
Hydrochloric Acid SCHEMBL3001041 0.87 KMT2A (0.54) HTR1DHTR1BHTR1AALDH1A1KDM4E
SCHEMBL2996022 0.85 HTR1D (0.55) HTR1DHTR1BHTR1AALDH1A1KDM4E
SCHEMBL2996024 0.85 HTR1D (0.55) HTR1DHTR1BHTR1AALDH1A1KDM4E
SCHEMBL3000105 0.85 HTR1D (0.53) HTR1DHTR1BHTR1AALDH1A1KDM4E
SCHEMBL3000108 0.85 HTR1D (0.53) HTR1DHTR1BHTR1AALDH1A1KDM4E
SCHEMBL13209506 0.84 HTR1D (0.57) HTR1DHTR1BHTR1AALDH1A1KDM4E
SCHEMBL13209530 0.78 HTR1A (0.53) HTR1DHTR1BHTR1AALDH1A1KDM4E

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 5 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
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
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 48/4885HTR1B 147/4885HTR1A 31/4885

“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.