SCHEMBL3661610

SCHEMBL3661610

Cc1noc(-c2ccccc2C(=O)N2CC[C@@H](N)C2)n1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 10/20 0.65
HCRTR2 O43614 10/20 0.65
LMNA P02545 2/20 0.54
TSHR P16473 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
ALDH1A1 P00352 2/20 0.52
MAPT P10636 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48

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
SCHEMBL4238426 1.00 HCRTR1 (0.65) HCRTR1HCRTR2LMNATSHRNPSR1
SCHEMBL6902638 0.82 HCRTR1 (0.65) HCRTR1HCRTR2LMNATSHRNPSR1
SCHEMBL11907856 0.80 HCRTR1 (0.74) HCRTR1HCRTR2LMNATSHRNPSR1
SCHEMBL1672311 0.79 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL19893922 0.79 HCRTR1 (0.56) HCRTR1HCRTR2LMNATSHRNPSR1
SCHEMBL1586124 0.77 HCRTR1 (0.67) HCRTR1HCRTR2LMNATSHRNPSR1
SCHEMBL1807733 0.77 LMNA (0.56) HCRTR1HCRTR2LMNATSHRNPSR1
SCHEMBL5964184 0.75 HCRTR1 (0.57) HCRTR1HCRTR2LMNATSHRNPSR1
SCHEMBL1598404 0.74 HCRTR2 (0.64) HCRTR1HCRTR2LMNATSHRNPSR1
SCHEMBL6923889 0.74 HCRTR1 (0.66) HCRTR1HCRTR2LMNATSHRNPSR1

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 9 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-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
EP-2234999-A1 HETEROARYL DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2010-10-06 EP disclosed
WO-2009080533-A1 HETEROARYL DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-07-02 WO disclosed
WO-2009080533-A1 HETEROARYL DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-07-02 WO 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 2/4885LMNA 2601/4885

“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.