SCHEMBL4241799

SCHEMBL4241799

Cc1noc(-c2ccccc2C(=O)N2CCC(Nc3cnc4cc(F)c(F)cc4n3)C2)n1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 16/20 0.55
HCRTR2 O43614 11/20 0.55
ALDH1A1 P00352 3/20 0.43
MAPT P10636 1/20 0.43
LMNA P02545 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 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
SCHEMBL4241793 1.00 HCRTR1 (0.55) HCRTR1HCRTR2ALDH1A1MAPTLMNA
SCHEMBL8224513 0.89 HCRTR1 (0.51) HCRTR1HCRTR2ALDH1A1MAPTLMNA
SCHEMBL4246850 0.89 HCRTR1 (0.51) HCRTR1HCRTR2ALDH1A1MAPTLMNA
SCHEMBL4246856 0.89 HCRTR1 (0.51) HCRTR1HCRTR2ALDH1A1MAPTLMNA
SCHEMBL8416035 0.82 JAK3 (0.45) HCRTR1HCRTR2
SCHEMBL1597257 0.80 HCRTR1 (0.55) HCRTR1HCRTR2
SCHEMBL1598301 0.80 HCRTR1 (0.55) HCRTR1HCRTR2
SCHEMBL8224540 0.80 HCRTR1 (0.52) HCRTR1HCRTR2ALDH1A1MAPTLMNA
SCHEMBL1597243 0.80 HCRTR1 (0.52) HCRTR1HCRTR2
SCHEMBL1597246 0.80 HCRTR1 (0.52) HCRTR1HCRTR2

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-7897627-B2 Heteroaryl derivatives as orexin receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2011-03-01 US claimed
US-20090163485-A1 HETEROARYL DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-06-25 US claimed
US-7897627-B2 Heteroaryl derivatives as orexin receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2011-03-01 US disclosed
US-20090163485-A1 HETEROARYL DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-06-25 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-20090163485-A1 HETEROARYL DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR1, HCRTR2, MTNR1A HCRTR1 1/4885HCRTR2 2/4885ALDH1A1 1037/4885

“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.