SCHEMBL4246850

SCHEMBL4246850

Cc1noc(-c2ccccc2C(=O)N2CC[C@@H](Nc3cnc4cc(Cl)ccc4n3)C2)n1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 12/20 0.51
HCRTR2 O43614 10/20 0.51
LMNA P02545 3/20 0.45
NPC1 O15118 1/20 0.45
ALOX15 P16050 1/20 0.45
RAB9A P51151 1/20 0.45
ALDH1A1 P00352 2/20 0.42
MAPT P10636 1/20 0.42
OPRK1 P41145 2/20 0.41
TSHR P16473 1/20 0.40
NPSR1 Q6W5P4 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
SCHEMBL4246856 1.00 HCRTR1 (0.51) HCRTR1HCRTR2LMNANPC1ALOX15
SCHEMBL8224513 0.97 HCRTR1 (0.51) HCRTR1HCRTR2LMNANPC1ALOX15
SCHEMBL4241793 0.89 HCRTR1 (0.55) HCRTR1HCRTR2LMNAALDH1A1MAPT
SCHEMBL4241799 0.89 HCRTR1 (0.55) HCRTR1HCRTR2LMNAALDH1A1MAPT
SCHEMBL4239057 0.83 HCRTR1 (0.54) HCRTR1HCRTR2LMNANPC1ALOX15
SCHEMBL4239052 0.83 HCRTR1 (0.54) HCRTR1HCRTR2LMNANPC1ALOX15
SCHEMBL8224627 0.80 MGLL (0.48)
SCHEMBL4239234 0.79 CCNK (0.44) LMNAALOX15TSHR
SCHEMBL3659844 0.79 CCNK (0.44) LMNAALOX15TSHR
SCHEMBL4243256 0.79 HCRTR1 (0.51) HCRTR1HCRTR2LMNANPC1ALDH1A1

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 8 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-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
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 2/4885LMNA 2601/4885

“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.