SCHEMBL2993315

SCHEMBL2993315

COC(=O)NN=Cc1ccc2[nH]cc(CCN(C)C)c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.55
HTR1D P28221 7/20 0.55
HTR1B P28222 6/20 0.55
HTR1A P08908 5/20 0.55
ALDH1A1 P00352 3/20 0.55
CYP1A2 P05177 2/20 0.55
KDM4E B2RXH2 2/20 0.55
LMNA P02545 2/20 0.55
TP53 P04637 1/20 0.55
CYP3A4 P08684 1/20 0.55
TSHR P16473 1/20 0.55
PMP22 Q01453 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
HTR2A P28223 2/20 0.53
HTR2C P28335 2/20 0.53
HTR7 P34969 2/20 0.53
HTR5A P47898 2/20 0.53
HTR6 P50406 2/20 0.53
HTR3E A5X5Y0 1/20 0.53
HTR3B O95264 1/20 0.53

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
SCHEMBL2993313 1.00 KMT2A (0.55) KMT2AHTR1DHTR1BHTR1AALDH1A1
Hydrochloric Acid SCHEMBL3001041 0.99 KMT2A (0.54) KMT2AHTR1DHTR1BHTR1AALDH1A1
SCHEMBL3000105 0.90 HTR1D (0.53) KMT2AHTR1DHTR1BHTR1AALDH1A1
SCHEMBL3000108 0.90 HTR1D (0.53) KMT2AHTR1DHTR1BHTR1AALDH1A1
SCHEMBL13209506 0.89 HTR1D (0.57) KMT2AHTR1DHTR1BHTR1AALDH1A1
SCHEMBL3000908 0.88 HTR1D (0.54) KMT2AHTR1DHTR1BHTR1AALDH1A1
SCHEMBL3000905 0.88 HTR1D (0.54) KMT2AHTR1DHTR1BHTR1AALDH1A1
SCHEMBL2996022 0.86 HTR1D (0.55) KMT2AHTR1DHTR1BHTR1AALDH1A1
SCHEMBL2996024 0.86 HTR1D (0.55) KMT2AHTR1DHTR1BHTR1AALDH1A1
SCHEMBL13209530 0.82 HTR1A (0.53) KMT2AHTR1DHTR1BHTR1AALDH1A1

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 KMT2A 1089/4885HTR1D 48/4885HTR1B 147/4885

“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.