SCHEMBL4063701

SCHEMBL4063701

CN1CCCC1CCOc1ccc(-c2cc3ccccc3n2S(C)(=O)=O)cc1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.68
CHRNB1 P11230 2/20 0.47
CHRNB2 P17787 2/20 0.47
CHRNB4 P30926 2/20 0.47
CHRNA3 P32297 2/20 0.47
CHRNB3 Q05901 2/20 0.47
SLC2A1 P11166 1/20 0.42
ESRRG P62508 7/20 0.41
ESR1 P03372 5/20 0.41
ESRRB O95718 3/20 0.41
KCNH2 Q12809 2/20 0.41
CHRM3 P20309 1/20 0.40
ESRRA P11474 1/20 0.40
NR1H2 P55055 1/20 0.40

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
SCHEMBL4061699 0.81 HRH3 (1.00) HRH3KCNH2
SCHEMBL4058799 0.79 HRH3 (0.85) HRH3KCNH2
SCHEMBL6295031 0.76 HRH3 (0.64) HRH3KCNH2NR1H2
SCHEMBL6295023 0.75 HRH3 (0.58) HRH3CHRM3
SCHEMBL11466241 0.74 SLC2A1 (0.60) HRH3CHRNB4CHRNA3SLC2A1ESRRG
SCHEMBL4058939 0.73 HRH3 (0.81) HRH3
SCHEMBL6295038 0.72 HRH3 (0.63) HRH3CHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL11448915 0.72 SLC2A1 (0.58) SLC2A1ESRRGESR1ESRRBKCNH2
SCHEMBL6295109 0.71 HRH3 (0.58) HRH3NR1H2
SCHEMBL14577979 0.70 SLC2A1 (0.53) HRH3CHRNB1CHRNB2CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1268421-B1 PHENYL-SUBSTITUTED INDOLES AS HISTAMINE H3-RECEPTOR ANTAGONISTS ORTHO MCNEIL PHARM INC (US) 2009-05-06 EP claimed
US-6872834-B2 Phenyl-substituted indoles and indazoles ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2005-03-29 US claimed
US-20020006928-A1 Phenyl-substituted indoles and indazoles ORTHO MCNEIL PHARMACEUTICAL, INC. 2002-01-17 US claimed
EP-1268421-B1 PHENYL-SUBSTITUTED INDOLES AS HISTAMINE H3-RECEPTOR ANTAGONISTS ORTHO MCNEIL PHARM INC (US) 2009-05-06 EP disclosed
US-6872834-B2 Phenyl-substituted indoles and indazoles ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2005-03-29 US disclosed
US-20020006928-A1 Phenyl-substituted indoles and indazoles ORTHO MCNEIL PHARMACEUTICAL, INC. 2002-01-17 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-20020006928-A1 Phenyl-substituted indoles and indazoles IDO1, IDO2, AADAC HRH3 1173/4885CHRNB1 2306/4885CHRNB2 2526/4885

“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.