SCHEMBL8224401

SCHEMBL8224401

Cc1cccc(Nc2ccccc2C(=O)N2CC[C@@H](Nc3nc4ccc(Cl)cc4o3)C2)c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 6/20 0.40
HCRTR1 O43613 3/20 0.40
SSTR5 P35346 1/20 0.40
RORC P51449 1/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CCNK O75909 1/20 0.38
CDK12 Q9NYV4 1/20 0.38
OPRK1 P41145 1/20 0.38
ITGA4 P13612 1/20 0.38
AURKA O14965 1/20 0.38
AKR1B10 O60218 1/20 0.37
TRPA1 O75762 1/20 0.37
ABCB11 O95342 1/20 0.37
DHFR P00374 1/20 0.37
LMNA P02545 1/20 0.37
MPO P05164 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CHRM1 P11229 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
SCHEMBL3657997 0.89 MGLL (0.45) HCRTR2HCRTR1SSTR5CCNKCDK12
SCHEMBL4246791 0.89 MGLL (0.45) HCRTR2HCRTR1SSTR5CCNKCDK12
SCHEMBL8224002 0.88 HCRTR2 (0.44) HCRTR2HCRTR1SSTR5CCNKCDK12
SCHEMBL8226095 0.86 SSTR5 (0.42) HCRTR2HCRTR1SSTR5CCNKCDK12
SCHEMBL8225977 0.84 SSTR5 (0.46) HCRTR2HCRTR1SSTR5OPRK1TDP1
SCHEMBL8224268 0.84 SSTR5 (0.46) HCRTR2HCRTR1SSTR5KMT2ACCNK
SCHEMBL8218039 0.84 CCNK (0.50) HCRTR2HCRTR1SSTR5CCNKCDK12
SCHEMBL4246984 0.82 SSTR5 (0.47) HCRTR2HCRTR1SSTR5CCNKCDK12
SCHEMBL4239077 0.82 SSTR5 (0.46) HCRTR2HCRTR1SSTR5CCNKCDK12
SCHEMBL4239081 0.82 SSTR5 (0.46) HCRTR2HCRTR1SSTR5CCNKCDK12

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 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.