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SCHEMBL4245047

SCHEMBL4245047

O=C(c1ccccc1-c1cccnc1)N1CC[C@@H](Nc2nc3ccc(Cl)cc3o2)C1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 10/20 0.47
▸ HCRTR2 O43614 8/20 0.47
▸ ALDH1A1 P00352 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ SSTR5 P35346 1/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ GALK1 P51570 1/20 0.39
▸ MLNR O43193 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39

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
SCHEMBL4245051 1.00 HCRTR1 (0.47) HCRTR1HCRTR2ALDH1A1GAAKMT2A
SCHEMBL3661905 0.88 HCRTR1 (0.44) HCRTR1HCRTR2SSTR5OPRK1MLNR
SCHEMBL4246446 0.88 HCRTR1 (0.41) HCRTR1HCRTR2SSTR5OPRK1MLNR
SCHEMBL4242825 0.88 HCRTR1 (0.44) HCRTR1HCRTR2SSTR5OPRK1MLNR
SCHEMBL4246440 0.88 HCRTR1 (0.41) HCRTR1HCRTR2SSTR5OPRK1MLNR
SCHEMBL8218204 0.88 MLNR (0.46) HCRTR1HCRTR2SSTR5OPRK1MLNR
SCHEMBL8226095 0.86 SSTR5 (0.42) HCRTR1HCRTR2SSTR5OPRK1MLNR
SCHEMBL8225977 0.85 SSTR5 (0.46) HCRTR1HCRTR2ALDH1A1GAASSTR5
SCHEMBL4247465 0.84 HCRTR2 (0.49) HCRTR1HCRTR2ALDH1A1KMT2AMEN1
SCHEMBL4247470 0.84 HCRTR2 (0.49) HCRTR1HCRTR2ALDH1A1KMT2AMEN1

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 HCRTR1 1/4885HCRTR2 2/4885ALDH1A1 1037/4885

“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.