SCHEMBL13989759

SCHEMBL13989759

CC(C)N1CCC(N2CCc3cc(S(=O)(=O)c4cc(F)cc(F)c4)ccc32)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.39
PKM P14618 1/20 0.39
SCD O00767 2/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
OPRL1 P41146 1/20 0.36
MOGAT2 Q3SYC2 1/20 0.36
HTR1A P08908 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
HTR1F P30939 1/20 0.35
HTR2C P28335 3/20 0.35
HTR2B P41595 3/20 0.35
HTR6 P50406 6/20 0.35
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33

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 SCHEMBL4900170 0.99 HRH3 (0.38) HRH3PKMSCDOPRM1OPRD1
SCHEMBL13989767 0.92 HTR2C (0.44) HTR2CHTR2BHTR6
Hydrochloric Acid SCHEMBL4890951 0.91 HTR2C (0.43) HTR2CHTR2BHTR6
SCHEMBL13989781 0.89 HRH3 (0.39) HRH3PKMSCDOPRM1OPRD1
SCHEMBL13989755 0.89 HTR1A (0.44) HRH3PKMSCDHTR1AHTR1D
Hydrochloric Acid SCHEMBL4897537 0.88 HRH3 (0.38) HRH3PKMSCDOPRM1OPRD1
Hydrochloric Acid SCHEMBL4903348 0.88 HTR1A (0.43) HRH3PKMSCDHTR1AHTR1D
Indole SCHEMBL27684436 0.88 HTR6 (0.36) HRH3PKMOPRM1OPRD1OPRK1
SCHEMBL4898750 0.87 CHRM2 (0.43) HRH3PKMOPRM1OPRD1OPRK1
Hydrochloric Acid SCHEMBL5196807 0.86 CHRM2 (0.42) HRH3PKMOPRM1OPRD1OPRK1

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-20080318933-A1 5-Sulfonyl-1-Piperidinyl Substituted Indole Derivatives as 5-Ht6 Receptor Antagonists for the Treatment of Cns Disorders GLAXO GROUP LIMITED 2008-12-25 US disclosed
US-20080318933-A1 5-Sulfonyl-1-Piperidinyl Substituted Indole Derivatives as 5-Ht6 Receptor Antagonists for the Treatment of Cns Disorders GLAXO GROUP LIMITED 2008-12-25 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-20080318933-A1 5-Sulfonyl-1-Piperidinyl Substituted Indole Derivatives as 5-Ht6 Receptor Antagonists for the Treatment of Cns Disorders HTR6, HTR5A, TPH1 HRH3 257/4885PKM 2594/4885SCD 2493/4885

“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.