SCHEMBL13081209

SCHEMBL13081209

CN(C)C(=O)Cc1c[nH]c2ccc(CS(=O)(=O)N3CCCC3)cc12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 4/20 0.70
▸ LMNA P02545 4/20 0.70
▸ HTR2A P28223 2/20 0.70
▸ HTR2B P41595 2/20 0.70
▸ ADRA2B P18089 1/20 0.70
▸ KCNH2 Q12809 1/20 0.70
▸ HTR1B P28222 6/20 0.46
▸ HTR1D P28221 5/20 0.46
▸ HTR5A P47898 4/20 0.44
▸ HTR2C P28335 1/20 0.44
▸ HTR1E P28566 1/20 0.44
▸ HTR1F P30939 1/20 0.44
▸ HTR7 P34969 1/20 0.44
▸ HTR3A P46098 1/20 0.44
▸ SLC47A1 Q96FL8 1/20 0.44
▸ CHRM2 P08172 1/20 0.41
▸ ADRA2A P08913 1/20 0.41
▸ CHRM1 P11229 1/20 0.41
▸ DRD1 P21728 1/20 0.41
▸ SLC6A2 P23975 1/20 0.41

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
SCHEMBL13081207 0.87 LMNA (0.66) HTR1ALMNAHTR2AHTR2BADRA2B
SCHEMBL13081208 0.85 LMNA (0.64) HTR1ALMNAHTR2AHTR2BADRA2B
Almotriptan SCHEMBL29396422 0.83 HTR1A (1.00) HTR1ALMNAHTR2AHTR2BADRA2B
Almotriptan SCHEMBL1957 0.83 HTR1A (1.00) HTR1ALMNAHTR2AHTR2BADRA2B
Almotriptan SCHEMBL3273179 0.83 HTR1A (1.00) HTR1ALMNAHTR2AHTR2BADRA2B
Almotriptan SCHEMBL1774275 0.82 HTR1A (0.90) HTR1ALMNAHTR2AHTR2BADRA2B
SCHEMBL1437 0.82 HTR1A (0.98) HTR1ALMNAHTR2AHTR2BADRA2B
Almotriptan SCHEMBL2166 0.82 HTR1A (0.98) HTR1ALMNAHTR2AHTR2BADRA2B
SCHEMBL2791148 0.81 HTR1A (0.74) HTR1ALMNAHTR2AHTR2BADRA2B
Almotriptan SCHEMBL2761861 0.81 HTR1A (0.86) HTR1ALMNAHTR2AHTR2BADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100292290-A1 NOVEL PROCESS TO PREPARE ALMOTRIPTAN MYLAN DEVELOPMENT CENTRE PRIVATE LIMITED (IN) 2010-11-18 — — US 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 HTR1A 36/4885LMNA 1462/4885HTR2A 32/4885

“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.

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