SCHEMBL4399987

SCHEMBL4399987

CNC(=O)c1cnc(Oc2ccc3c(c2)CC(N2CCCC2)C3)cn1

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 17/20 0.72
HRH1 P35367 1/20 0.72
NFKB1 P19838 2/20 0.39
NR2C2 P49116 2/20 0.39
NFKB2 Q00653 2/20 0.39
RELA Q04206 2/20 0.39
TAB1 Q15750 2/20 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
SCHEMBL4404051 0.89 HRH3 (0.57) HRH3HRH1
SCHEMBL4393519 0.87 HRH3 (0.55) HRH3HRH1
SCHEMBL4396046 0.86 HRH3 (0.72) HRH3HRH1
SCHEMBL4398407 0.85 HRH3 (0.71) HRH3HRH1
SCHEMBL4400226 0.85 HRH3 (0.71) HRH3HRH1
SCHEMBL29496216 0.84 HRH3 (1.00) HRH3HRH1
SCHEMBL29665214 0.84 HRH3 (1.00) HRH3HRH1
SCHEMBL3091166 0.84 HRH3 (0.96) HRH3HRH1
SCHEMBL167107 0.84 HRH3 (1.00) HRH3HRH1
SCHEMBL3087351 0.79 HRH3 (0.80) HRH3HRH1

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-20090306052-A1 INDENYL DERIVATIVES AND USE THEREOF FOR THE TREATMENT OF NEUROLOGICAL DISORDERS GLAXO GROUP LIMITED 2009-12-10 US claimed
US-20090306052-A1 INDENYL DERIVATIVES AND USE THEREOF FOR THE TREATMENT OF NEUROLOGICAL DISORDERS GLAXO GROUP LIMITED 2009-12-10 US disclosed
US-20090306052-A1 INDENYL DERIVATIVES AND USE THEREOF FOR THE TREATMENT OF NEUROLOGICAL DISORDERS GLAXO GROUP LIMITED 2009-12-10 US disclosed
US-20090306052-A1 INDENYL DERIVATIVES AND USE THEREOF FOR THE TREATMENT OF NEUROLOGICAL DISORDERS GLAXO GROUP LIMITED 2009-12-10 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-20090306052-A1 INDENYL DERIVATIVES AND USE THEREOF FOR THE TREATMENT OF NEUROLOGICAL DISORDERS NLN, INMT, INA HRH3 2097/4885HRH1 2957/4885NFKB1 2365/4885

“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.