SCHEMBL3740183

SCHEMBL3740183

Cc1cnc(C(=O)/C=C/c2ccc(OC(F)F)c(OC(F)F)c2)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 2/20 0.45
MAPT P10636 2/20 0.43
CYP1A1 P04798 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP1B1 Q16678 2/20 0.41
CYP3A4 P08684 1/20 0.41
PDE4B Q07343 6/20 0.41
ABCG2 Q9UNQ0 2/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
FBP1 P09467 1/20 0.39
PDE4A P27815 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
SCHEMBL3736208 0.86 ALDH1A1 (0.41) KMT2AMEN1LMNAHPGDSMN1; SMN2
SCHEMBL3743364 0.81 AR (0.41) KMT2AMEN1LMNAHPGDSMN1; SMN2
SCHEMBL3733240 0.80 P4HB (0.44) KMT2AMEN1LMNAHPGDSMN1; SMN2
SCHEMBL3732440 0.74 LMNA (0.47) KMT2AMEN1LMNAHPGDSMN1; SMN2
SCHEMBL142116 0.74 KDM4E (0.59) KMT2AMEN1LMNAHPGDSMN1; SMN2
SCHEMBL3736318 0.73 LMNA (0.50) KMT2AMEN1LMNAHPGDSMN1; SMN2
SCHEMBL29803475 0.72 CA1 (0.60) KMT2AMEN1HPGDSMN1; SMN2ALDH1A1
SCHEMBL21643543 0.72 CA1 (0.60) KMT2AMEN1HPGDSMN1; SMN2ALDH1A1
SCHEMBL25185073 0.71 KDM4E (0.52) KMT2AMEN1LMNAHPGDSMN1; SMN2
SCHEMBL30383432 0.71 KDM4E (0.52) KMT2AMEN1LMNAHPGDSMN1; SMN2

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 KMT2A 364/4885MEN1 1772/4885LMNA 3364/4885

“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.