SCHEMBL1363422

SCHEMBL1363422

COc1ccc(CCC2NCCc3scc(Cl)c32)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 1/20 0.35
TSHR P16473 2/20 0.34
SIGMAR1 Q99720 1/20 0.33
MAOB P27338 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33

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
SCHEMBL1364325 0.79 TSHR (0.41) KMT2APOLBTSHRSIGMAR1MAOB
SCHEMBL1364229 0.78 KMT2A (0.40) KMT2ATSHR
SCHEMBL1364740 0.73 KMT2A (0.40) KMT2ATSHRDRD2
SCHEMBL8552803 0.71 KDM1A (0.45) KMT2AMEN1POLB
SCHEMBL9411283 0.69 GID4 (0.59) KMT2AMEN1SMN1; SMN2POLB
SCHEMBL6392691 0.68 KMT2A (0.70) KMT2A
SCHEMBL8982764 0.68 TBXA2R (0.49) KMT2AMEN1DRD3
SCHEMBL1364874 0.66 KMT2A (0.40) KMT2AALDH1A1
SCHEMBL6392485 0.64 KDM4C (0.49) KMT2A
SCHEMBL12635434 0.64 SLC6A3 (0.55) KMT2ADRD2

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 817/4885MEN1 1977/4885ALDH1A1 1152/4885

“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.