SCHEMBL3662373

SCHEMBL3662373

CC(C)(C)c1ccc2nc(Cl)cnc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
PDE10A Q9Y233 1/20 0.40
MAPKAPK2 P49137 1/20 0.39
SCN10A Q9Y5Y9 3/20 0.38
KCNH2 Q12809 1/20 0.38
METAP2 P50579 1/20 0.36
MEN1 O00255 1/20 0.35
CRHBP P24387 1/20 0.35
KMT2A Q03164 1/20 0.35
CRHR2 Q13324 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
TRPV1 Q8NER1 3/20 0.35
HRH4 Q9H3N8 2/20 0.35
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CCR9 P51686 3/20 0.34
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL3656007 0.82 KDM4E (0.50) ALDH1A1PDE10AMETAP2
SCHEMBL4548610 0.80 PDE10A (0.41) ALDH1A1PDE10ASCN10AKCNH2METAP2
SCHEMBL16232299 0.80 PDE10A (0.41) ALDH1A1PDE10ASCN10AKCNH2METAP2
SCHEMBL12755253 0.79 PDE10A (0.40) ALDH1A1PDE10ASCN10AKCNH2METAP2
SCHEMBL3660647 0.79 ALDH1A1 (0.42) ALDH1A1PDE10ASCN10AKCNH2METAP2
SCHEMBL5683130 0.79 ALOX5AP (0.45) ALDH1A1PDE10ASCN10AKCNH2METAP2
SCHEMBL23118240 0.76 SCN10A (0.47) ALDH1A1SCN10AKCNH2METAP2MEN1
SCHEMBL2707266 0.76 SCN10A (0.47) ALDH1A1SCN10AKCNH2METAP2MEN1
SCHEMBL14157791 0.76 PDE10A (0.50) ALDH1A1PDE10ASCN10AKCNH2METAP2
SCHEMBL23502416 0.76 PDE10A (0.39) ALDH1A1PDE10ASCN10AKCNH2METAP2

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 ALDH1A1 1037/4885PDE10A 2128/4885MAPKAPK2 3840/4885

“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.