SCHEMBL4247465

SCHEMBL4247465

O=C(c1ccccc1-c1ccco1)N1CC[C@@H](Nc2nc3ccc(Cl)cc3o2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 10/20 0.49
HCRTR1 O43613 10/20 0.49
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 1/20 0.41
SSTR5 P35346 1/20 0.40
OPRK1 P41145 1/20 0.40
USP2 O75604 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
DNMT1 P26358 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SPR P35270 1/20 0.37

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
SCHEMBL4247470 1.00 HCRTR2 (0.49) HCRTR2HCRTR1CACNA1BAPBA1SSTR5
SCHEMBL8226095 0.86 SSTR5 (0.42) HCRTR2HCRTR1SSTR5OPRK1
SCHEMBL8225977 0.86 SSTR5 (0.46) HCRTR2HCRTR1SSTR5OPRK1TDP1
SCHEMBL4242825 0.85 HCRTR1 (0.44) HCRTR2HCRTR1SSTR5OPRK1
SCHEMBL3661905 0.85 HCRTR1 (0.44) HCRTR2HCRTR1SSTR5OPRK1
SCHEMBL8218204 0.85 MLNR (0.46) HCRTR2HCRTR1SSTR5OPRK1
SCHEMBL3657997 0.84 MGLL (0.45) HCRTR2HCRTR1SSTR5OPRK1
SCHEMBL4246791 0.84 MGLL (0.45) HCRTR2HCRTR1SSTR5OPRK1
SCHEMBL4238362 0.84 HCRTR1 (0.49) HCRTR2HCRTR1
SCHEMBL4245047 0.84 HCRTR1 (0.47) HCRTR2HCRTR1SSTR5OPRK1MEN1

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 HCRTR2 2/4885HCRTR1 1/4885CACNA1B 1074/4885

“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.