SCHEMBL633508

SCHEMBL633508

CCN(Cc1c[nH]cn1)c1nccc(C(F)(F)F)n1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.36
NR1H2 P55055 2/20 0.33
NR1H3 Q13133 2/20 0.33
GRM5 P41594 1/20 0.33
ADRB1 P08588 1/20 0.33
HTR2A P28223 2/20 0.32
HTR2C P28335 2/20 0.32
HTR2B P41595 2/20 0.32
HRH4 Q9H3N8 2/20 0.31
PKM P14618 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
MBOAT4 Q96T53 1/20 0.30

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
SCHEMBL633103 0.88 ADRB1 (0.32) ADRB1PKM
SCHEMBL631641 0.83 GRM5 (0.34) NR1H2NR1H3GRM5HRH4HDAC6
SCHEMBL632846 0.82 TAAR1 (0.42) TAAR1NR1H2NR1H3ADRB1HTR2A
SCHEMBL631702 0.77 TAAR1 (0.34) TAAR1NR1H2NR1H3
SCHEMBL14189411 0.75 TAAR1 (0.64) TAAR1
SCHEMBL632281 0.73 TAAR1 (0.32) TAAR1
SCHEMBL631928 0.72 KDM4E (0.38) TAAR1
SCHEMBL633000 0.71 GRIN2A (0.43) NR1H2NR1H3
SCHEMBL4055184 0.70 CNR2 (0.43) NR1H2NR1H3
SCHEMBL632763 0.69 GSK3B (0.35) TAAR1

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-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 TAAR1 419/4885NR1H2 1517/4885NR1H3 1076/4885

“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.