SCHEMBL4245088

SCHEMBL4245088

Cc1cc(C(=O)N2CCC(Nc3nc4ccc(Cl)cc4o3)C2)c(C(F)(F)F)o1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.42
SSTR5 P35346 3/20 0.42
HCRTR1 O43613 3/20 0.39
HCRTR2 O43614 3/20 0.39
CCNA2 P20248 3/20 0.39
CDK2 P24941 3/20 0.39
CDK7 P50613 3/20 0.39
CCNH P51946 3/20 0.39
MNAT1 P51948 3/20 0.39
CCNK O75909 3/20 0.39
CDK12 Q9NYV4 3/20 0.39
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
AURKA O14965 2/20 0.37
NLRP3 Q96P20 1/20 0.37
PROKR1 Q8TCW9 1/20 0.37
OPRK1 P41145 1/20 0.36
RHOC P08134 1/20 0.36
RHOA P61586 1/20 0.36

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
SCHEMBL4245082 1.00 SCD (0.42) SCDSSTR5HCRTR1HCRTR2CCNA2
SCHEMBL3718628 0.88 HCRTR2 (0.40) SCDSSTR5HCRTR1HCRTR2LMNA
SCHEMBL8229538 0.86 SSTR5 (0.41) SSTR5HCRTR1HCRTR2CCNA2CDK2
SCHEMBL4242374 0.86 HCRTR1 (0.45) SCDSSTR5HCRTR1HCRTR2CCNA2
SCHEMBL4242378 0.86 HCRTR1 (0.45) SCDSSTR5HCRTR1HCRTR2CCNA2
SCHEMBL8218039 0.85 CCNK (0.50) SSTR5HCRTR1HCRTR2CCNA2CDK2
SCHEMBL8224268 0.85 SSTR5 (0.46) SSTR5HCRTR1HCRTR2CCNA2CDK2
SCHEMBL4238127 0.84 MGLL (0.48) SCDSSTR5HCRTR1HCRTR2OPRK1
SCHEMBL4238122 0.84 MGLL (0.48) SCDSSTR5HCRTR1HCRTR2OPRK1
SCHEMBL4246791 0.83 MGLL (0.45) SSTR5HCRTR1HCRTR2CCNA2CDK2

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 SCD 552/4885SSTR5 248/4885HCRTR1 1/4885

“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.