SCHEMBL632294

SCHEMBL632294

CCN(Cc1c[nH]cn1)c1ccc(Br)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM5 Q9NZQ8 1/20 0.50
GBA1 P04062 1/20 0.42
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 2/20 0.39
KDM4E B2RXH2 2/20 0.39
NPC1 O15118 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TAAR1 Q96RJ0 2/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
USP2 O75604 1/20 0.36
POLB P06746 1/20 0.36
RECQL P46063 1/20 0.36
TLR9 Q9NR96 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NR1H2 P55055 2/20 0.36
NR1H3 Q13133 2/20 0.36
LMNA P02545 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
SCHEMBL633000 0.85 GRIN2A (0.43) ALDH1A1MAPK1KDM4EMAPTNR1H2
SCHEMBL632206 0.82 ALDH1A1 (0.40) ALDH1A1MAPK1SMN1; SMN2TAAR1MAPT
SCHEMBL632399 0.82 GRIN1 (0.36) TRPM5TAAR1NR1H2NR1H3GRIN1
SCHEMBL632151 0.82 GRIN1 (0.36) TRPM5NR1H2NR1H3GRIN1GRIN2A
SCHEMBL633166 0.81 TRPM5 (0.34) TRPM5GBA1SMN1; SMN2TAAR1LMNA
SCHEMBL631933 0.81 TAAR1 (0.46) TAAR1MAPTNR1H2NR1H3GRIN1
SCHEMBL632702 0.80 CNR2 (0.48) ALDH1A1KDM4ENPC1TAAR1MEN1
SCHEMBL631935 0.79 S1PR1 (0.47) ALDH1A1MAPK1MEN1MAPTKMT2A
SCHEMBL633125 0.79 CNR2 (0.42) TRPM5
SCHEMBL631671 0.79 NR1H2 (0.42) ALDH1A1TAAR1NR1H2NR1H3LMNA

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
EP-2076497-B1 AMINOMETHYL-4-IMIDAZOLES HOFFMANN LA ROCHE (CH) 2012-02-22 EP claimed
EP-2076497-A1 AMINOMETHYL-4-IMIDAZOLES F. Hoffmann-Roche AG (CH) 2009-07-08 EP claimed
US-20080119535-A1 AMINOMETHYL-4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-05-22 US claimed
WO-2008046757-A1 AMINOMETHYL-4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-04-24 WO claimed
US-8586617-B2 Aminomethyl-4-imidazoles HOFFMANN-LA ROCHE INC. (US) 2013-11-19 US disclosed
EP-2076497-B1 AMINOMETHYL-4-IMIDAZOLES HOFFMANN LA ROCHE (CH) 2012-02-22 EP disclosed
EP-2076497-A1 AMINOMETHYL-4-IMIDAZOLES F. Hoffmann-Roche AG (CH) 2009-07-08 EP disclosed
US-20080119535-A1 AMINOMETHYL-4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-05-22 US disclosed
WO-2008046757-A1 AMINOMETHYL-4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-04-24 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-20080119535-A1 AMINOMETHYL-4-IMIDAZOLES INMT, HTR4, MC4R TRPM5 650/4885GBA1 1124/4885ALDH1A1 631/4885

“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.