SCHEMBL8224540

SCHEMBL8224540

Cc1noc(-c2ccccc2C(=O)N2CC[C@@H](Nc3nc4ccc(F)c(F)c4o3)C2)n1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 14/20 0.52
HCRTR2 O43614 12/20 0.52
ALDH1A1 P00352 3/20 0.41
LMNA P02545 3/20 0.41
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPT P10636 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 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
SCHEMBL4387380 0.94 HCRTR1 (0.47) HCRTR1HCRTR2ALDH1A1LMNATSHR
SCHEMBL8224537 0.91 HCRTR1 (0.53) HCRTR1HCRTR2ALDH1A1LMNATSHR
SCHEMBL8224353 0.86 HCRTR1 (0.66) HCRTR1HCRTR2ALDH1A1LMNATSHR
SCHEMBL4239052 0.84 HCRTR1 (0.54) HCRTR1HCRTR2ALDH1A1LMNATSHR
SCHEMBL4239057 0.84 HCRTR1 (0.54) HCRTR1HCRTR2ALDH1A1LMNATSHR
SCHEMBL8224313 0.81 MGLL (0.42)
SCHEMBL4241799 0.80 HCRTR1 (0.55) HCRTR1HCRTR2ALDH1A1LMNAMAPT
SCHEMBL4241793 0.80 HCRTR1 (0.55) HCRTR1HCRTR2ALDH1A1LMNAMAPT
SCHEMBL3720464 0.79 HCRTR1 (0.53) HCRTR1HCRTR2ALDH1A1LMNATSHR
SCHEMBL4251357 0.79 HCRTR1 (0.53) HCRTR1HCRTR2ALDH1A1LMNATSHR

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 disclosed
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
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.