SCHEMBL8218276

SCHEMBL8218276

CN(C)c1cccc(F)c1C(=O)N1CC[C@@H](Nc2nc3ccc(Cl)cc3o2)C1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 4/20 0.44
HCRTR1 O43613 4/20 0.44
SSTR5 P35346 2/20 0.41
SPR P35270 1/20 0.38
CCNK O75909 3/20 0.38
CDK12 Q9NYV4 3/20 0.38
CCNA2 P20248 2/20 0.38
CDK2 P24941 2/20 0.38
CDK7 P50613 2/20 0.38
CCNH P51946 2/20 0.38
MNAT1 P51948 2/20 0.38
HRH4 Q9H3N8 1/20 0.38
RAB9A P51151 3/20 0.38
CTSL P07711 1/20 0.38
CTSS P25774 1/20 0.38
PKM P14618 1/20 0.38
OPRK1 P41145 1/20 0.37
NPC1 O15118 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
SCHEMBL8224301 0.92 HCRTR2 (0.47) HCRTR2HCRTR1SSTR5SPRCCNK
SCHEMBL8224371 0.89 HCRTR2 (0.47) HCRTR2HCRTR1SSTR5SPRCCNK
SCHEMBL4247674 0.87 HCRTR1 (0.48) HCRTR2HCRTR1SSTR5SPRRAB9A
SCHEMBL4247680 0.87 HCRTR1 (0.48) HCRTR2HCRTR1SSTR5SPRRAB9A
SCHEMBL8224358 0.86 SSTR5 (0.43) HCRTR2HCRTR1SSTR5SPRCCNK
SCHEMBL4250853 0.86 HCRTR2 (0.43) HCRTR2HCRTR1SSTR5SPRCCNK
SCHEMBL3661341 0.86 HCRTR2 (0.43) HCRTR2HCRTR1SSTR5SPRCCNK
SCHEMBL4243152 0.84 SSTR5 (0.47) HCRTR2HCRTR1SSTR5SPRCCNK
SCHEMBL4243155 0.84 SSTR5 (0.47) HCRTR2HCRTR1SSTR5SPRCCNK
SCHEMBL4239077 0.82 SSTR5 (0.46) HCRTR2HCRTR1SSTR5SPRCCNK

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 5 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
WO-2009080533-A1 HETEROARYL DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-07-02 WO 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 1/4885SSTR5 248/4885

“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.