SCHEMBL4245733

SCHEMBL4245733

Cc1ccc(C(F)(F)F)c(C(=O)N2CCC(Nc3cnc4ccccc4n3)C2)c1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 5/20 0.52
HCRTR2 O43614 4/20 0.52
SYK P43405 10/20 0.45
CCNK O75909 1/20 0.43
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43
CDK7 P50613 1/20 0.43
CCNH P51946 1/20 0.43
MNAT1 P51948 1/20 0.43
CDK12 Q9NYV4 1/20 0.43
JAK3 P52333 3/20 0.42

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
SCHEMBL4245731 1.00 HCRTR1 (0.52) HCRTR1HCRTR2SYKCCNKCCNA2
SCHEMBL3717336 0.91 DHFR (0.49) HCRTR1HCRTR2SYKCCNKCCNA2
SCHEMBL3717341 0.91 DHFR (0.49) HCRTR1HCRTR2SYKCCNKCCNA2
SCHEMBL3718375 0.91 SYK (0.47) HCRTR1HCRTR2SYK
SCHEMBL3718377 0.91 SYK (0.47) HCRTR1HCRTR2SYK
SCHEMBL7271923 0.91 GFER (0.47) HCRTR1HCRTR2SYKCCNKCCNA2
SCHEMBL3804193 0.91 GFER (0.47) HCRTR1HCRTR2SYKCCNKCCNA2
SCHEMBL8218917 0.90 HCRTR1 (0.49) HCRTR1HCRTR2SYKCCNKCCNA2
SCHEMBL4249630 0.90 HCRTR1 (0.46) HCRTR1HCRTR2SYKCCNKCCNA2
SCHEMBL8227779 0.90 HCRTR1 (0.46) HCRTR1HCRTR2SYKCCNKCCNA2

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 2/4885SYK 3250/4885

“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.