SCHEMBL4243262

SCHEMBL4243262

Cc1onc(-c2ccccc2)c1C(=O)N1CCC(Nc2cnc3cc(Cl)ccc3n2)C1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.51
HCRTR2 O43614 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.49
HTT P42858 1/20 0.49
USP2 O75604 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
KMT2A Q03164 1/20 0.48
LMNA P02545 3/20 0.47
KDM4E B2RXH2 3/20 0.47
TSHR P16473 2/20 0.46
POLB P06746 1/20 0.45
ALDH1A1 P00352 3/20 0.44
NPC1 O15118 1/20 0.43
GAA P10253 1/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL4243256 1.00 HCRTR1 (0.51) HCRTR1HCRTR2SMN1; SMN2HTTUSP2
SCHEMBL8224727 0.97 HCRTR1 (0.51) HCRTR1HCRTR2SMN1; SMN2HTTUSP2
SCHEMBL4241696 0.91 SMN1; SMN2 (0.55) HCRTR1HCRTR2SMN1; SMN2HTTUSP2
SCHEMBL4241702 0.91 SMN1; SMN2 (0.55) HCRTR1HCRTR2SMN1; SMN2HTTUSP2
SCHEMBL4238687 0.89 HCRTR1 (0.54) HCRTR1HCRTR2SMN1; SMN2HTTUSP2
SCHEMBL4238683 0.89 HCRTR1 (0.54) HCRTR1HCRTR2SMN1; SMN2HTTUSP2
SCHEMBL1463236 0.88 NPSR1 (0.55) HCRTR1HCRTR2SMN1; SMN2HTTUSP2
SCHEMBL1463238 0.88 NPSR1 (0.55) HCRTR1HCRTR2SMN1; SMN2HTTUSP2
SCHEMBL1463240 0.88 NPSR1 (0.55) HCRTR1HCRTR2SMN1; SMN2HTTUSP2
SCHEMBL4245058 0.83 HCRTR1 (0.51) HCRTR1HCRTR2SMN1; SMN2HTTUSP2

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 2/4885SMN1; SMN2 2577/4885

“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.