SCHEMBL299955

SCHEMBL299955

Cc1ccc(NCCc2ccc(CF)nc2)cc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.49
ALDH1A1 P00352 3/20 0.43
HTT P42858 3/20 0.43
GAA P10253 2/20 0.42
MAPT P10636 9/20 0.40
NPC1 O15118 3/20 0.40
LMNA P02545 3/20 0.40
RAB9A P51151 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
TP53 P04637 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 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
SCHEMBL265830 0.80 HRH3 (0.48) HRH3ALDH1A1HTTGAAMAPT
SCHEMBL264874 0.78 HRH3 (0.52) HRH3ALDH1A1HTTMAPTNPC1
SCHEMBL265827 0.77 HRH3 (0.51) HRH3ALDH1A1HTTGAAMAPT
SCHEMBL3642817 0.76 MAPT (0.58) HRH3ALDH1A1HTTGAAMAPT
SCHEMBL265064 0.74 HRH3 (0.55) HRH3ALDH1A1HTTMAPTNPC1
SCHEMBL3649346 0.74 TAAR1 (0.52) HRH3ALDH1A1HTTGAAMAPT
SCHEMBL264418 0.74 HRH3 (0.48) HRH3ALDH1A1HTTMAPTNPC1
SCHEMBL3648149 0.73 CNR1 (0.56) HRH3ALDH1A1HTTMAPTNPC1
SCHEMBL3646333 0.72 L3MBTL1 (0.58) HRH3ALDH1A1HTTMAPTNPC1
SCHEMBL3640798 0.72 ALDH1A1 (0.49) HRH3ALDH1A1HTTGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8133909-B2 Heteroaromatic monoamides as orexinin receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-03-13 US disclosed
US-20090312314-A1 HETEROAROMATIC MONOAMIDES AS OREXININ RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-12-17 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-20090312314-A1 HETEROAROMATIC MONOAMIDES AS OREXININ RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPSR1 HRH3 8/4885ALDH1A1 1706/4885HTT 532/4885

“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.