SCHEMBL6843293

SCHEMBL6843293

CNS(=O)(=O)Cc1ccc2[nH]cc(C(C)N(C)C)c2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1D P28221 8/20 0.61
▸ HTR1B P28222 8/20 0.61
▸ HTR1A P08908 6/20 0.61
▸ HTR2A P28223 4/20 0.61
▸ HTR2B P41595 3/20 0.61
▸ HTR7 P34969 2/20 0.61
▸ HTR5A P47898 2/20 0.61
▸ HTR2C P28335 2/20 0.61
▸ HTR1E P28566 1/20 0.61
▸ HTR1F P30939 1/20 0.61
▸ HTR3A P46098 1/20 0.61
▸ SLC47A1 Q96FL8 1/20 0.61
▸ LMNA P02545 1/20 0.39
▸ ADRA2B P18089 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ HTR6 P50406 1/20 0.38
▸ THRA P10827 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ MAPT P10636 2/20 0.35
▸ TP53 P04637 1/20 0.35

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
Succinic Acid SCHEMBL6846369 0.92 HTR1D (0.53) HTR1DHTR1BHTR1AHTR2AHTR2B
SCHEMBL9765113 0.85 HTR1D (0.57) HTR1DHTR1BHTR1AHTR2AHTR2B
SCHEMBL8694505 0.81 HTR1D (0.55) HTR1DHTR1BHTR1AHTR2AHTR2B
SCHEMBL13551485 0.79 HTR1A (0.64) HTR1DHTR1BHTR1AHTR2AHTR2B
SCHEMBL13805397 0.78 HTR1D (0.63) HTR1DHTR1BHTR1AHTR2AHTR2B
SCHEMBL9205912 0.77 GABRA1 (0.47) HTR2AHTR2BHTR2CLMNATHRA
Sumatriptan SCHEMBL14186900 0.76 HTR1A (0.79) HTR1DHTR1BHTR1AHTR2AHTR2B
SCHEMBL7475889 0.76 HTR1B (0.52) HTR1DHTR1BHTR1AHTR2AHTR2B
Sumatriptan SCHEMBL183393 0.76 HTR1A (1.00) HTR1DHTR1BHTR1AHTR2AHTR2B
Sumatriptan SCHEMBL29450235 0.76 HTR1A (1.00) HTR1DHTR1BHTR1AHTR2AHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040068000-A1 Solid dosage forms; enteric coating; analgesics, headache therapy GUO MINTONG (US) 2004-04-08 — — US claimed
WO-1998051301-A1 USE OF INDOLAMINES AS ANTITHROMBOTIC MEDICINE PIERRE FABRE MEDICAMENT (FR) 1998-11-19 — — WO claimed
WO-1998051301-A1 USE OF INDOLAMINES AS ANTITHROMBOTIC MEDICINE PIERRE FABRE MEDICAMENT (FR) 1998-11-19 — — 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-20040068000-A1 Solid dosage forms; enteric coating; analgesics, headache therapy SI, MAST3, SLC10A2 HTR1D 37/4885HTR1B 42/4885HTR1A 7/4885

“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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