SCHEMBL5456873

SCHEMBL5456873

CNC(=O)c1ccc(-c2ccc3c(c2)CCN(C2CCC2)CC3)c(C)c1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 17/20 0.62
HRH1 P35367 1/20 0.48
KCNH2 Q12809 3/20 0.44
L3MBTL3 Q96JM7 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM2B Q8NHM5 2/20 0.42

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
SCHEMBL5452199 0.88 HRH3 (0.61) HRH3HRH1KCNH2L3MBTL3L3MBTL1
SCHEMBL5457102 0.87 HRH3 (0.73) HRH3HRH1KCNH2L3MBTL3L3MBTL1
SCHEMBL1790897 0.86 HRH3 (0.76) HRH3HRH1L3MBTL3L3MBTL1KDM2B
SCHEMBL5458210 0.84 HRH3 (0.63) HRH3HRH1L3MBTL3L3MBTL1
SCHEMBL3091120 0.81 HRH3 (0.77) HRH3HRH1
SCHEMBL5455631 0.80 HRH3 (0.68) HRH3HRH1KDM2B
SCHEMBL5660240 0.79 HRH3 (0.72) HRH3HRH1L3MBTL3L3MBTL1KDM2B
SCHEMBL12749545 0.79 HRH3 (0.40) HRH3KCNH2L3MBTL3L3MBTL1
SCHEMBL5667538 0.78 HRH3 (0.53) HRH3HRH1L3MBTL3L3MBTL1
SCHEMBL3081481 0.77 HRH3 (1.00) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070185089-A1 Benzazepine derivatives for the treatment of neurological and psychiatric disorders GLAXO GROUP LIMITED (GB) 2007-08-09 US claimed

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-20070185089-A1 Benzazepine derivatives for the treatment of neurological and psychiatric disorders CNR2, GRIN2C, GRIN2B HRH3 38/4885HRH1 101/4885KCNH2 74/4885

“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.