SCHEMBL1364512

SCHEMBL1364512

Cc1cc2c(s1)CCNC2CCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
KDM1A O60341 2/20 0.37
DAO P14920 1/20 0.36
ADRB2 P07550 1/20 0.35
TBXA2R P21731 1/20 0.35
S1PR1 P21453 1/20 0.34
MAOB P27338 1/20 0.34
HTR2A P28223 6/20 0.34
HTR2C P28335 5/20 0.34
TAAR1 Q96RJ0 1/20 0.33
HTR2B P41595 2/20 0.32

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
SCHEMBL1364740 0.82 KMT2A (0.40) KDM1A
SCHEMBL12200056 0.74 ADRB2 (0.45) KDM1AADRB2TBXA2R
SCHEMBL990798 0.74 BCHE (0.57)
SCHEMBL1680336 0.74 BCHE (0.57)
SCHEMBL3346743 0.74 BCHE (0.57)
Hydrochloric Acid SCHEMBL987382 0.73 BCHE (0.56)
Hydrochloric Acid SCHEMBL3654652 0.73 BCHE (0.47) ADRB2TBXA2R
SCHEMBL1364229 0.71 KMT2A (0.40) KDM1A
SCHEMBL1364766 0.70 L3MBTL1 (0.43) L3MBTL1KDM1AADRB2TBXA2RS1PR1
SCHEMBL948574 0.70 MTNR1B (0.39) ADRB2

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 L3MBTL1 4164/4885KDM1A 1583/4885DAO 1416/4885

“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.