SCHEMBL1364740

SCHEMBL1364740

COc1ccc(CCC2NCCc3sc(C)cc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.40
KDM1A O60341 1/20 0.38
GRIN2D O15399 4/20 0.37
GRIN3B O60391 4/20 0.37
GRIN1 Q05586 4/20 0.37
GRIN2A Q12879 4/20 0.37
GRIN2B Q13224 4/20 0.37
GRIN2C Q14957 4/20 0.37
GRIN3A Q8TCU5 4/20 0.37
CHRM4 P08173 2/20 0.37
DRD2 P14416 2/20 0.37
HTR7 P34969 2/20 0.37
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 1/20 0.36

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
SCHEMBL1364229 0.88 KMT2A (0.40) KMT2AKDM1AGRIN2DGRIN3BGRIN1
SCHEMBL1364512 0.82 L3MBTL1 (0.41) KDM1A
SCHEMBL1364325 0.80 TSHR (0.41) KMT2ATSHR
SCHEMBL6392691 0.76 KMT2A (0.70) KMT2AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL9411283 0.75 GID4 (0.59) KMT2A
SCHEMBL1363422 0.73 KMT2A (0.39) KMT2ADRD2TSHR
SCHEMBL12635434 0.72 SLC6A3 (0.55) KMT2AKDM1AGRIN2DGRIN3BGRIN1
SCHEMBL21248278 0.72 KMT2A (0.60) KMT2AKDM1AGRIN2DGRIN3BGRIN1
SCHEMBL1364874 0.71 KMT2A (0.40) KMT2A
SCHEMBL6320875 0.71 KDM4C (0.54) KMT2AGRIN2DGRIN3BGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067598-B2 Heterofused piperidines as orexin antagonists HOFFMAN-LA ROCHE INC. (US) 2011-11-29 US disclosed
US-8067598-B2 Heterofused piperidines as orexin antagonists HOFFMAN-LA ROCHE INC. (US) 2011-11-29 US disclosed
US-8067598-B2 Heterofused piperidines as orexin antagonists HOFFMAN-LA ROCHE INC. (US) 2011-11-29 US disclosed
EP-2144906-B1 HETEROCYCLES AS OREXIN ANTAGONISTS HOFFMANN LA ROCHE (CH) 2011-06-15 EP disclosed
EP-2144906-B1 HETEROCYCLES AS OREXIN ANTAGONISTS HOFFMANN LA ROCHE (CH) 2011-06-15 EP disclosed
WO-2008122513-A1 HETEROCYCLES AS OREXIN ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2008-10-16 WO disclosed
US-20080249125-A1 HETEROCYCLIC DERIVATIVES AS OREXIN ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2008-10-09 US disclosed
US-20080249125-A1 HETEROCYCLIC DERIVATIVES AS OREXIN ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2008-10-09 US disclosed
US-20080249125-A1 HETEROCYCLIC DERIVATIVES AS OREXIN ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2008-10-09 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-20080249125-A1 HETEROCYCLIC DERIVATIVES AS OREXIN ANTAGONISTS HCRTR2, HCRTR1, HRH3 KMT2A 817/4885KDM1A 1583/4885GRIN2D 299/4885

“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.