SCHEMBL9765114

SCHEMBL9765114

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 9/20 0.65
HTR1B P28222 9/20 0.65
HTR1A P08908 7/20 0.65
HTR2A P28223 3/20 0.65
HTR2B P41595 2/20 0.65
HTR7 P34969 2/20 0.65
HTR5A P47898 2/20 0.65
HTR2C P28335 1/20 0.65
HTR1E P28566 1/20 0.65
HTR1F P30939 1/20 0.65
HTR3A P46098 1/20 0.65
SLC47A1 Q96FL8 1/20 0.65
CSNK2A1 P68400 3/20 0.52
LMNA P02545 1/20 0.42
ADRA2B P18089 1/20 0.42
KCNH2 Q12809 1/20 0.42
HTR6 P50406 1/20 0.41
FEN1 P39748 1/20 0.39
CYP19A1 P11511 1/20 0.38
SNCA P37840 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
SCHEMBL9800423 0.88 HTR1B (0.54) HTR1DHTR1BHTR1AHTR2AHTR2B
SCHEMBL10465856 0.85 HTR1D (0.48) HTR1DHTR1BHTR1AHTR2AHTR2B
Dimethylamine SCHEMBL8927414 0.84 HTR1D (0.71) HTR1DHTR1BHTR1AHTR2AHTR2B
SCHEMBL10494772 0.83 CSNK2A1 (0.56) HTR1DHTR1BHTR1AHTR2AHTR2B
SCHEMBL10465307 0.82 CSNK2A1 (0.47) HTR1DHTR1BHTR1AHTR2AHTR2B
SCHEMBL10465878 0.82 HTR2A (0.50) HTR1DHTR1BHTR1AHTR2AHTR2B
SCHEMBL13926193 0.82 HTR1D (0.76) HTR1DHTR1BHTR1AHTR2AHTR2B
SCHEMBL5918470 0.81 HTR1D (0.74) HTR1DHTR1BHTR1AHTR2AHTR2B
SCHEMBL2739183 0.81 HTR1D (0.74) HTR1DHTR1BHTR1AHTR2AHTR2B
SCHEMBL9456487 0.81 HTR1D (0.74) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10736878-B2 Treatment of organophosphate exposure with triptans PFADENHAUER TINA (US) 2020-08-11 US disclosed
US-20140024641-A1 TREATMENT OF ORGANOPHOSPHATE EXPOSURE WITH TRIPTANS HELTON DAVID REED (US) 2014-01-23 US disclosed
US-5037845-A Analgesics; for treatment or prevention of pain due to vasodilation in the cranium GLAXO GROUP LIMITED (GB) 1991-08-06 US disclosed
US-4816470-A Heterocyclic compounds GLAXO GROUP LIMITED 1989-03-28 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 (2 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-20140024641-A1 TREATMENT OF ORGANOPHOSPHATE EXPOSURE WITH TRIPTANS DDT, THOP1, TPP1 HTR1D 945/4885HTR1B 1868/4885HTR1A 957/4885
US-10736878-B2 Treatment of organophosphate exposure with triptans DDT, THOP1, TPP1 HTR1D 945/4885HTR1B 1868/4885HTR1A 957/4885

“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.