SCHEMBL8204549

SCHEMBL8204549

Cc1ncc(CN2CCc3ccc(C(F)(F)F)cc32)[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XIAP P98170 1/20 0.38
BIRC2 Q13490 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
MLNR O43193 1/20 0.37
GHSR Q92847 1/20 0.37
HTR2A P28223 4/20 0.37
HTR2C P28335 4/20 0.37
GNRHR P30968 1/20 0.37
HTR2B P41595 3/20 0.36
PHGDH O43175 1/20 0.36
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NOTUM Q6P988 1/20 0.36
TRPV1 Q8NER1 2/20 0.35
CNR2 P34972 1/20 0.35
HRH1 P35367 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
TLR9 Q9NR96 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35

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
SCHEMBL8210904 0.79 TAAR1 (0.63) TAAR1HTR2AHTR2CHRH4
SCHEMBL3527618 0.78 XIAP (0.39) XIAPBIRC2HTR2AHTR2CHTR2B
SCHEMBL3528547 0.75 TRPV1 (0.40) XIAPBIRC2TAAR1HTR2AHTR2C
SCHEMBL12993129 0.75 TRPV1 (0.45) TAAR1MLNRGHSRHTR2AHTR2C
SCHEMBL12992893 0.75 MTNR1A (0.41) TAAR1MLNRGHSRHTR2AHTR2C
SCHEMBL31343488 0.74 GNRHR (0.39) GNRHRKDM4EL3MBTL1TRPV1HRH4
SCHEMBL14260768 0.74 NOTUM (0.46) XIAPBIRC2HTR2AHTR2CHTR2B
SCHEMBL1736518 0.74 ALDH1A1 (0.42) XIAPBIRC2TAAR1HTR2AHTR2C
SCHEMBL8490913 0.72 ACHE (0.48) KDM4ETRPV1CNR2
SCHEMBL8214872 0.72 TAAR1 (0.61) TAAR1KDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7858652-B2 Substituted 4-imidazoles HOFFMANN-LA ROCHE INC. (US) 2010-12-28 US disclosed
US-7858652-B2 Substituted 4-imidazoles HOFFMANN-LA ROCHE INC. (US) 2010-12-28 US disclosed
US-20080139533-A1 SUBSTITUTED 4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-12 US disclosed
US-20080139533-A1 SUBSTITUTED 4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-12 US disclosed
WO-2008058867-A2 SUBSTITUTED 4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-05-22 WO 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-20080139533-A1 SUBSTITUTED 4-IMIDAZOLES TAAR1, TAAR5, TACR1 XIAP 4394/4885BIRC2 3236/4885TAAR1 1/4885

“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.