Almotriptan

Almotriptan

SCHEMBL2761861

CN(C)CCc1c[nH]c2ccc(CS(=O)(=O)N3CCCC3)cc12.O=C(O)CCC(=O)O

nearest known ligand 0.86

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

HTR1BHTR1DHTR1F

The experimentally established mechanism targets of Almotriptan. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1D known ✓ P28221 5/20 0.58
HTR1B known ✓ P28222 4/20 0.58
HTR1F known ✓ P30939 1/20 0.58
HTR1A P08908 7/20 0.86
HTR2A P28223 4/20 0.86
HTR2B P41595 2/20 0.86
LMNA P02545 1/20 0.86
ADRA2B P18089 1/20 0.86
KCNH2 Q12809 1/20 0.86
HTR5A P47898 9/20 0.58
HTR2C P28335 2/20 0.58
HTR1E P28566 1/20 0.58
HTR7 P34969 1/20 0.58
HTR3A P46098 1/20 0.58
SLC47A1 Q96FL8 1/20 0.58
KMT2A Q03164 2/20 0.48
ADRA1A P35348 1/20 0.48
SLC6A4 P31645 1/20 0.47

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
Almotriptan SCHEMBL1774275 0.94 HTR1A (0.90) HTR1AHTR2AHTR2BLMNAADRA2B
Almotriptan SCHEMBL1957 0.93 HTR1A (1.00) HTR1AHTR2AHTR2BLMNAADRA2B
Almotriptan SCHEMBL29396422 0.93 HTR1A (1.00) HTR1AHTR2AHTR2BLMNAADRA2B
Almotriptan SCHEMBL3273179 0.93 HTR1A (1.00) HTR1AHTR2AHTR2BLMNAADRA2B
Almotriptan SCHEMBL2166 0.92 HTR1A (0.98) HTR1AHTR2AHTR2BLMNAADRA2B
SCHEMBL1437 0.92 HTR1A (0.98) HTR1AHTR2AHTR2BLMNAADRA2B
Almotriptan SCHEMBL221132 0.91 HTR1A (0.85) HTR1AHTR2AHTR2BLMNAADRA2B
Almotriptan SCHEMBL1848914 0.91 HTR1A (0.85) HTR1AHTR2AHTR2BLMNAADRA2B
Almotriptan SCHEMBL2259962 0.91 HTR1A (0.85) HTR1AHTR2AHTR2BLMNAADRA2B
Almotriptan SCHEMBL5042399 0.91 HTR1A (0.96) HTR1AHTR2AHTR2BLMNAADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010113183-A2 PROCESS FOR THE PREPARATION OF 1-[[[3-[2-(DIMETHYLAMINO)ETHYL]-1H-INDOL-5-YL]METHYL]SULFONYL] PYRROLIDINE AND ITS PHARMACEUTICALLY ACCEPTABLE SALTS MSN LABORATORIES LIMITED (IN) 2010-10-07 WO claimed
WO-2012085723-A1 A PROCESS FOR THE PURIFICATION OF ALMOTRIPTAN ACID ADDITION SALT ORCHID CHEMICALS AND PHARMACEUTICALS LIMITED (IN) 2012-06-28 WO disclosed
WO-2010113183-A3 PROCESS FOR THE PREPARATION OF 1-[[[3-[2-(DIMETHYLAMINO)ETHYL]-1H-INDOL-5-YL]METHYL]SULFONYL] PYRROLIDINE AND ITS PHARMACEUTICALLY ACCEPTABLE SALTS MSN LABORATORIES LIMITED (IN) 2010-12-29 WO disclosed
US-20100292290-A1 NOVEL PROCESS TO PREPARE ALMOTRIPTAN MYLAN DEVELOPMENT CENTRE PRIVATE LIMITED (IN) 2010-11-18 US disclosed
WO-2010113183-A2 PROCESS FOR THE PREPARATION OF 1-[[[3-[2-(DIMETHYLAMINO)ETHYL]-1H-INDOL-5-YL]METHYL]SULFONYL] PYRROLIDINE AND ITS PHARMACEUTICALLY ACCEPTABLE SALTS MSN LABORATORIES LIMITED (IN) 2010-10-07 WO disclosed
WO-2010113183-A2 PROCESS FOR THE PREPARATION OF 1-[[[3-[2-(DIMETHYLAMINO)ETHYL]-1H-INDOL-5-YL]METHYL]SULFONYL] PYRROLIDINE AND ITS PHARMACEUTICALLY ACCEPTABLE SALTS MSN LABORATORIES LIMITED (IN) 2010-10-07 WO disclosed
CN-101842352-A Novel process GENERICS UK LTD 2010-09-22 CN disclosed
EP-2170824-A1 NOVEL PROCESS Generics Ýuk¨Limited (GB) 2010-04-07 EP disclosed
WO-2009016414-A1 NOVEL PROCESS GENERICS [UK] LIMITED (GB) 2009-02-05 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-20100292290-A1 NOVEL PROCESS TO PREPARE ALMOTRIPTAN HTR5A, LPXN, AGPAT5 HTR1D 84/4885HTR1B 68/4885HTR1F 176/4885

“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.