SCHEMBL13551485

SCHEMBL13551485

CC(c1c[nH]c2ccc(CS(=O)(=O)N3CCCC3)cc12)N(C)C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 4/20 0.64
▸ HTR2A P28223 2/20 0.64
▸ HTR2B P41595 2/20 0.64
▸ LMNA P02545 1/20 0.64
▸ ADRA2B P18089 1/20 0.64
▸ KCNH2 Q12809 1/20 0.64
▸ HTR1B P28222 9/20 0.41
▸ HTR1D P28221 8/20 0.41
▸ HPGD P15428 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HTR5A P47898 3/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ HTR1E P28566 1/20 0.39
▸ HTR1F P30939 1/20 0.39
▸ HTR7 P34969 1/20 0.39
▸ HTR3A P46098 1/20 0.39
▸ SLC47A1 Q96FL8 1/20 0.39
▸ CHRM2 P08172 1/20 0.38
▸ ADRA2A P08913 1/20 0.38
▸ CHRM1 P11229 1/20 0.38

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
SCHEMBL27833197 0.80 HTR1A (0.53) HTR1AHTR2AHTR2BLMNAADRA2B
SCHEMBL6843293 0.79 HTR1D (0.61) HTR1AHTR2AHTR2BLMNAADRA2B
Almotriptan SCHEMBL29396422 0.78 HTR1A (1.00) HTR1AHTR2AHTR2BLMNAADRA2B
Almotriptan SCHEMBL1957 0.78 HTR1A (1.00) HTR1AHTR2AHTR2BLMNAADRA2B
Almotriptan SCHEMBL3273179 0.78 HTR1A (1.00) HTR1AHTR2AHTR2BLMNAADRA2B
SCHEMBL1437 0.77 HTR1A (0.98) HTR1AHTR2AHTR2BLMNAADRA2B
Almotriptan SCHEMBL2166 0.77 HTR1A (0.98) HTR1AHTR2AHTR2BLMNAADRA2B
Almotriptan SCHEMBL13411556 0.76 HTR1A (0.80) HTR1AHTR2AHTR2BLMNAADRA2B
Almotriptan SCHEMBL5042399 0.76 HTR1A (0.96) HTR1AHTR2AHTR2BLMNAADRA2B
SCHEMBL13081209 0.76 HTR1A (0.70) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100016363-A1 Fixed Combination Dosage Forms for the Treatment of Migraine KOWA PHARMACEUTICALS AMERICA, INC. (US) 2010-01-21 — — US 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-20100016363-A1 Fixed Combination Dosage Forms for the Treatment of Migraine KCNN3, KCNN2, KCNN1 HTR1A 57/4885HTR2A 39/4885HTR2B 125/4885

“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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