SCHEMBL6362007

SCHEMBL6362007

CNS(=O)(=O)Cc1ccc2[nH]cc(CCCN3CCN(c4ncncc4OC)C(C)C3)c2c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 4/20 0.51
HTR1B P28222 4/20 0.51
HTR1A P08908 12/20 0.47
HTR2A P28223 2/20 0.47
HTR7 P34969 2/20 0.44
HTR2C P28335 1/20 0.44
HTR1E P28566 1/20 0.44
HTR1F P30939 1/20 0.44
HTR2B P41595 1/20 0.44
HTR3A P46098 1/20 0.44
HTR5A P47898 1/20 0.44
SLC47A1 Q96FL8 1/20 0.44
SLC6A4 P31645 1/20 0.39
KCNH2 Q12809 1/20 0.39

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
Hydrochloric Acid SCHEMBL9263047 0.99 HTR1D (0.50) HTR1DHTR1BHTR1AHTR2AHTR7
SCHEMBL4353972 0.92 HTR1A (0.43) HTR1DHTR1BHTR1AHTR7SLC6A4
SCHEMBL4558261 0.91 HTR1A (0.42) HTR1DHTR1BHTR1AHTR2AHTR7
SCHEMBL4350474 0.89 HTR1A (0.42) HTR1DHTR1BHTR1AHTR2AHTR7
SCHEMBL4352038 0.89 HTR1A (0.43) HTR1DHTR1BHTR1AHTR7SLC6A4
Avitriptan SCHEMBL147315 0.88 HTR1D (0.55) HTR1DHTR1BHTR1AHTR2AHTR7
Avitriptan SCHEMBL29633456 0.88 HTR1D (0.55) HTR1DHTR1BHTR1AHTR2AHTR7
Avitriptan SCHEMBL4352074 0.88 HTR1D (0.54) HTR1DHTR1BHTR1AHTR2AHTR7
SCHEMBL4347875 0.86 HTR1A (0.42) HTR1AHTR7SLC6A4KCNH2
SCHEMBL6356507 0.86 USP2 (0.43) HTR1DHTR1AHTR7SLC6A4KCNH2

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-5300506-A Indole-3-alkyl derivatives of alkoxypyrimidinylpiperazines BRISTOL-MYERS SQUIBB COMPANY (US) 1994-04-05 US claimed
US-20050095286-A1 Extended release compositions FABRE KRAMER PHARMACEUTICALS, INC. (US) 2005-05-05 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-20050095286-A1 Extended release compositions PDE3A, GIPR, PDE7A HTR1D 29/4885HTR1B 38/4885HTR1A 22/4885

“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.