SCHEMBL3740706

SCHEMBL3740706

CON(C)C(=O)c1cc(C)no1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.55
POLB P06746 2/20 0.45
KMT2A Q03164 6/20 0.44
MEN1 O00255 4/20 0.44
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CHRNA4 P43681 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
GLA P06280 1/20 0.38
HTT P42858 1/20 0.38
TP53 P04637 1/20 0.38
USP2 O75604 1/20 0.38
ALOX12 P18054 1/20 0.37

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
SCHEMBL26685301 0.81 CHRNA4 (0.45) HCAR2KMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL568731 0.81 RAB9A (0.42) HCAR2KMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL6050525 0.81 RAB9A (0.39) HCAR2KMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL19885757 0.79 ALDH1A1 (0.40) HCAR2RAB9ASMN1; SMN2HTT
SCHEMBL23930612 0.75 RAB9A (0.35) RAB9ASMN1; SMN2CHRNA4HTT
SCHEMBL4034128 0.74 HCAR2 (0.62) HCAR2POLBKMT2AMEN1RAB9A
SCHEMBL1021661 0.74 GAA (0.50) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL16748871 0.72 VHL (0.50) HCAR2POLBKMT2AMEN1RAB9A
SCHEMBL222184 0.71
SCHEMBL1613078 0.71

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2114867-B1 AMINOAMIDES AS OREXIN ANTAGONISTS HOFFMANN LA ROCHE (CH) 2012-12-12 EP disclosed
US-7829563-B2 Aminoamides as orexin antagonists HOFFMANN-LA ROCHE INC. (US) 2010-11-09 US disclosed
EP-2114867-A1 AMINOAMIDES AS OREXIN ANTAGONISTS F. Hoffmann-Roche AG (CH) 2009-11-11 EP disclosed
WO-2008107335-A1 AMINOAMIDES AS OREXIN ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2008-09-12 WO disclosed
US-20080221166-A1 AMINOAMIDES AS OREXIN ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2008-09-11 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-20080221166-A1 AMINOAMIDES AS OREXIN ANTAGONISTS HCRTR1, HCRTR2, HRH3 HCAR2 94/4885POLB 4471/4885KMT2A 364/4885

“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.