SCHEMBL4239057

SCHEMBL4239057

Cc1noc(-c2ccccc2C(=O)N2CCC(Nc3nc4ccc(Cl)cc4o3)C2)n1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 11/20 0.54
HCRTR2 O43614 10/20 0.52
LMNA P02545 3/20 0.43
NPC1 O15118 1/20 0.43
ALOX15 P16050 1/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPT P10636 1/20 0.41
OPRK1 P41145 2/20 0.40
SSTR5 P35346 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
SCHEMBL4239052 1.00 HCRTR1 (0.54) HCRTR1HCRTR2LMNANPC1ALOX15
SCHEMBL8224353 0.91 HCRTR1 (0.66) HCRTR1HCRTR2LMNAALDH1A1TSHR
SCHEMBL8226095 0.88 SSTR5 (0.42) HCRTR1HCRTR2OPRK1SSTR5
SCHEMBL4246791 0.86 MGLL (0.45) HCRTR1HCRTR2OPRK1SSTR5
SCHEMBL3657997 0.86 MGLL (0.45) HCRTR1HCRTR2OPRK1SSTR5
SCHEMBL3661905 0.85 HCRTR1 (0.44) HCRTR1HCRTR2LMNAOPRK1SSTR5
SCHEMBL4242825 0.85 HCRTR1 (0.44) HCRTR1HCRTR2LMNAOPRK1SSTR5
SCHEMBL8224540 0.84 HCRTR1 (0.52) HCRTR1HCRTR2LMNAALDH1A1TSHR
SCHEMBL8225977 0.84 SSTR5 (0.46) HCRTR1HCRTR2RAB9AALDH1A1OPRK1
SCHEMBL8224268 0.84 SSTR5 (0.46) HCRTR1HCRTR2OPRK1SSTR5

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 2/4885LMNA 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.