SCHEMBL3733446

SCHEMBL3733446

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SAE1 Q9UBE0 1/20 0.42
UBA2 Q9UBT2 1/20 0.42
MMP2 P08253 1/20 0.41
HTT P42858 2/20 0.40
MAPT P10636 3/20 0.40
TSHR P16473 2/20 0.40
LMNA P02545 2/20 0.40
KDM4E B2RXH2 2/20 0.40
NLRP3 Q96P20 1/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
GSK3B P49841 2/20 0.40
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
F2R P25116 1/20 0.39
PANK3 Q9H999 1/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 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
SCHEMBL19002295 0.82 NOS3 (0.46) HTTMAPTTSHRKDM4EGAA
SCHEMBL6170103 0.81 SAE1 (0.44) SAE1UBA2MMP2HTTMAPT
SCHEMBL14448526 0.79 HTT (0.47) MMP2HTTMAPTTSHRLMNA
SCHEMBL27778703 0.78 PARP15 (0.44) MMP2MAPTKDM4EGAAL3MBTL1
SCHEMBL3730724 0.78 LMNA (0.43) MMP2MAPTLMNAKDM4EPOLB
SCHEMBL15562877 0.78 HSD17B10 (0.47) MAPTKDM4EGAAL3MBTL1CA1
SCHEMBL3736159 0.77 FFAR2 (0.61) MEN1KMT2A
Hydrochloric Acid SCHEMBL11480914 0.77 KDM4E (0.40) MAPTTSHRLMNAKDM4EGAA
SCHEMBL27874655 0.77 FFAR2 (0.36) TSHRLMNAKDM4E
SCHEMBL20290805 0.77 FFAR2 (0.61) MEN1KMT2A

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 SAE1 2745/4885UBA2 1884/4885MMP2 4740/4885

“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.