SCHEMBL2999508

SCHEMBL2999508

Cc1c(CCN)c2cc(I)ccc2n1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPR P35270 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C19 P33261 2/20 0.38
HTR2A P28223 3/20 0.33
HTR2C P28335 2/20 0.33
HTR1D P28221 4/20 0.33
ADRB2 P07550 1/20 0.33
NQO2 P16083 1/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
MAPT P10636 2/20 0.32
TDP1 Q9NUW8 2/20 0.31
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HTR6 P50406 2/20 0.31
CYP2C9 P11712 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL10771285 0.83 PLA2G4A (0.40) SPRCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL4658499 0.81 SPR (0.56) SPRCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL29206563 0.81 HTR2A (0.41) SPRCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL13962819 0.81 SPR (0.44) SPRNQO2MTNR1AMTNR1BMAPT
SCHEMBL25416151 0.79 CYP1A2 (0.58) SPRCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL2701682 0.79 ADRB2 (0.56) SPRCYP1A2CYP2D6CYP2C19HTR2A
SCHEMBL335711 0.77 GPR3 (0.52) CYP2C19HTR2AHTR2CNQO2MAPT
SCHEMBL28753894 0.76 MAPT (0.63) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL23608109 0.76 ADRB2 (0.46) SPRCYP1A2CYP2D6CYP2C19HTR1D
SCHEMBL23608115 0.76 ADRB2 (0.46) SPRCYP1A2CYP3A4CYP2D6CYP2C19

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 SPR 13/4885CYP1A2 369/4885CYP3A4 88/4885

“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.