SCHEMBL3730724

SCHEMBL3730724

CNC(=O)C(N)c1ccc(C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
POLB P06746 2/20 0.42
ALOX5 P09917 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
FFAR2 O15552 1/20 0.41
KIF11 P52732 1/20 0.40
KDM4E B2RXH2 1/20 0.40
TNF P01375 1/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
ADAM17 P78536 1/20 0.40
ALDH1A1 P00352 2/20 0.39
STAT3 P40763 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
ACHE P22303 1/20 0.38

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
SCHEMBL28802980 0.84 KDM4E (0.44) LMNAMAPTALOX5KDM4EALDH1A1
SCHEMBL3736159 0.82 FFAR2 (0.61) FFAR2ALDH1A1NPC1CNR1
SCHEMBL20290805 0.82 FFAR2 (0.61) FFAR2ALDH1A1NPC1CNR1
SCHEMBL3727820 0.82 HDAC3 (0.48) FFAR2ALDH1A1
Hydrochloric Acid SCHEMBL11480914 0.82 KDM4E (0.40) LMNAMAPTTDP1FFAR2KDM4E
SCHEMBL1515665 0.82 LMNA (0.53) LMNAPOLB
SCHEMBL3743441 0.82 LMNA (0.53) LMNAPOLB
SCHEMBL3638914 0.82 LMNA (0.53) LMNAPOLB
Hydrochloric Acid SCHEMBL3213616 0.80 LMNA (0.51) LMNAPOLBALDH1A1
Hydrochloric Acid SCHEMBL3213602 0.80 LMNA (0.51) LMNAPOLBALDH1A1

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 6 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
CN-101627007-A Aminoamides as orexin antagonists HOFFMANN LA ROCHE 2010-01-13 CN 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 LMNA 3364/4885MAPT 2958/4885POLB 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.