SCHEMBL3640798

SCHEMBL3640798

Cc1ccc(NCCc2ccc(F)c(F)c2)cc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
HTT P42858 3/20 0.49
HRH3 Q9Y5N1 1/20 0.48
MAPT P10636 6/20 0.45
NPC1 O15118 3/20 0.45
LMNA P02545 3/20 0.45
RAB9A P51151 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
CNR1 P21554 1/20 0.45
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
POLB P06746 2/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL3649346 0.83 TAAR1 (0.52) ALDH1A1HTTHRH3MAPTNPC1
SCHEMBL3648149 0.82 CNR1 (0.56) ALDH1A1HTTHRH3MAPTNPC1
SCHEMBL3642817 0.81 MAPT (0.58) ALDH1A1HTTHRH3MAPTNPC1
SCHEMBL3644893 0.79 MAPT (0.55) ALDH1A1HTTHRH3MAPTLMNA
SCHEMBL3646333 0.78 L3MBTL1 (0.58) ALDH1A1HTTHRH3MAPTNPC1
SCHEMBL3647801 0.77 TAAR1 (0.49) ALDH1A1MAPTLMNACNR1MEN1
SCHEMBL3644611 0.76 ALDH1A1 (0.47) ALDH1A1HTTHRH3MAPTNPC1
SCHEMBL3646051 0.74 CNR1 (0.45) MAPTCNR1KCNH2
SCHEMBL5541413 0.73 L3MBTL1 (0.39) ALDH1A1HTTMAPTL3MBTL1MEN1
SCHEMBL3904492 0.73 F2 (0.49) ALDH1A1MAPTL3MBTL1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2185503-A1 MONOAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. Hoffmann-Roche AG (CH) 2010-05-19 EP disclosed
WO-2009016087-A1 MONOAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 WO disclosed
US-20090036422-A1 MONOAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 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-20090036422-A1 MONOAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, MTNR1A ALDH1A1 1565/4885HTT 890/4885HRH3 5/4885

“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.