SCHEMBL4247218

SCHEMBL4247218

COc1ccc(C)cc1C(=O)N1CC[C@@H](Nc2cnc3cc(F)c(F)cc3n2)C1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GFER P55789 2/20 0.49
PDGFRB P09619 7/20 0.48
PDGFRA P16234 7/20 0.48
EGFR P00533 1/20 0.45
INSR P06213 1/20 0.45
LCK P06239 1/20 0.45
PDE2A O00408 1/20 0.44
GAA P10253 1/20 0.43
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
MC4R P32245 2/20 0.42
SYK P43405 1/20 0.42
KCNH2 Q12809 1/20 0.42
JAK3 P52333 1/20 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
SCHEMBL4247223 1.00 GFER (0.49) GFERPDGFRBPDGFRAEGFRINSR
SCHEMBL4241798 0.89 CCNA2 (0.49) GFERPDGFRBPDGFRAPDE2ACCNK
SCHEMBL4241795 0.89 CCNA2 (0.49) GFERPDGFRBPDGFRAPDE2ACCNK
SCHEMBL4244736 0.88 GFER (0.45) GFERCCNKCCNA2CDK2CDK7
SCHEMBL4244738 0.88 GFER (0.45) GFERCCNKCCNA2CDK2CDK7
SCHEMBL8224532 0.88 PDGFRB (0.45) GFERPDGFRBPDGFRAEGFRINSR
SCHEMBL8224408 0.88 PDGFRB (0.45) GFERPDGFRBPDGFRAEGFRINSR
SCHEMBL3708656 0.88 HCRTR1 (0.46) GFERPDGFRBPDGFRACCNKCCNA2
SCHEMBL8218917 0.87 HCRTR1 (0.49) GFERCCNKCCNA2CDK2CDK7
SCHEMBL8226172 0.85 PDGFRB (0.48) PDGFRBPDGFRAEGFRINSRLCK

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 GFER 607/4885PDGFRB 1107/4885PDGFRA 964/4885

“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.