SCHEMBL3734922

SCHEMBL3734922

CON(C)C(=O)c1ccc2nc(C)oc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 6/20 0.50
TAS1R1 Q7RTX1 6/20 0.50
POLB P06746 1/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KLK3 P07288 1/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
ATM Q13315 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TAS2R8 Q9NYW2 1/20 0.42
CHRNA7 P36544 1/20 0.42
KMT2A Q03164 1/20 0.41
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL15646756 0.89 TAS1R3 (0.51) TAS1R3TAS1R1POLBNPC1RAB9A
SCHEMBL16429010 0.85 NPC1 (0.43) POLBNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL14741071 0.81 CASP3 (0.53) POLBNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL1680291 0.80 ALDH1A1 (0.59) TAS1R3TAS1R1POLBNPC1RAB9A
SCHEMBL703616 0.77 TAS1R3 (0.57) TAS1R3TAS1R1POLBNPC1RAB9A
SCHEMBL10114288 0.77 POLB (0.57) TAS1R3TAS1R1POLBNPC1RAB9A
SCHEMBL29784106 0.77 TAS1R3 (0.57) TAS1R3TAS1R1POLBNPC1RAB9A
SCHEMBL7103228 0.76 TAS1R3 (0.56) TAS1R3TAS1R1POLBNPC1RAB9A
SCHEMBL21129476 0.76 TAS1R3 (0.48) TAS1R3TAS1R1POLBNPC1RAB9A
SCHEMBL31201715 0.74 CYP1A2 (0.45) POLBNPC1RAB9AALDH1A1KDM4E

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 TAS1R3 441/4885TAS1R1 495/4885POLB 4471/4885

“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.