SCHEMBL4388248

SCHEMBL4388248

Fc1ccc2nc(N[C@@H]3CCNC3)oc2c1F.O=C(c1ccccc1OC(F)(F)F)N1CC[C@@H](Nc2nc3ccc(F)c(F)c3o2)C1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.41
HSD11B1 P28845 1/20 0.41
MGLL Q99685 2/20 0.40
HCRTR2 O43614 10/20 0.38
HCRTR1 O43613 8/20 0.38
MCHR1 Q99705 1/20 0.38
MAPK8 P45983 1/20 0.36
MAPK10 P53779 1/20 0.36
SSTR5 P35346 1/20 0.35
CACNA1B Q00975 1/20 0.34
EGFR P00533 1/20 0.34
BTK Q06187 1/20 0.34

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
SCHEMBL4389150 0.94 HCRTR1 (0.42) KDM5AHSD11B1MGLLHCRTR2HCRTR1
SCHEMBL4244110 0.93 HSD11B1 (0.46) KDM5AHSD11B1MGLLHCRTR2HCRTR1
SCHEMBL3657087 0.93 HSD11B1 (0.46) KDM5AHSD11B1MGLLHCRTR2HCRTR1
SCHEMBL4394061 0.89 MGLL (0.37) HSD11B1MGLLMAPK8MAPK10
SCHEMBL4242113 0.86 HCRTR2 (0.46) KDM5AHSD11B1MGLLHCRTR2HCRTR1
SCHEMBL4242122 0.86 HCRTR2 (0.46) KDM5AHSD11B1MGLLHCRTR2HCRTR1
SCHEMBL8226384 0.84 HSD11B1 (0.46) KDM5AHSD11B1MGLLHCRTR2HCRTR1
SCHEMBL4392235 0.82 GFER (0.41) SSTR5
SCHEMBL4385982 0.82 HCRTR1 (0.40) HCRTR2HCRTR1MAPK10
SCHEMBL4387380 0.81 HCRTR1 (0.47) HCRTR2HCRTR1

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 2 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-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 KDM5A 2654/4885HSD11B1 164/4885MGLL 1527/4885

“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.