SCHEMBL631366

SCHEMBL631366

c1ccc(N(Cc2c[nH]cn2)CC2OCCO2)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 5/20 0.33
SLC6A2 P23975 4/20 0.33
SLC6A4 P31645 4/20 0.33
FFAR2 O15552 1/20 0.32
CYP2D6 P10635 3/20 0.31
CYP1A2 P05177 2/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
TAAR1 Q96RJ0 6/20 0.30
LMNA P02545 2/20 0.30
TSHR P16473 2/20 0.30
HTR1A P08908 1/20 0.30
ADRA2A P08913 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
PDE6A P16499 1/20 0.30
ADRA2C P18825 1/20 0.30
MC4R P32245 1/20 0.30
ADRA1A P35348 1/20 0.30
HRH1 P35367 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
SCHEMBL632671 0.83 FFAR2 (0.39) FFAR2CYP2D6CYP1A2CYP3A4CYP2C9
SCHEMBL14189368 0.74 TAAR1 (0.60) TAAR1
SCHEMBL631574 0.72 TAAR1 (0.46) CYP2D6CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL632172 0.70 KCNA5 (0.38) CYP2D6CYP3A4TAAR1LMNATSHR
SCHEMBL631933 0.70 TAAR1 (0.46) TAAR1TSHR
SCHEMBL632501 0.68 BCHE (0.40) SLC6A3CYP2D6CYP1A2CYP2C19TAAR1
SCHEMBL632702 0.67 CNR2 (0.48) CYP2D6CYP1A2CYP2C9CYP2C19TAAR1
SCHEMBL631672 0.65 TAAR1 (0.41) SLC6A3CYP2D6CYP1A2TAAR1LMNA
SCHEMBL633148 0.63 NOX1 (0.52) SLC6A3SLC6A2CYP1A2CYP2C19TAAR1
SCHEMBL10478065 0.62 ALDH1A1 (0.47) CYP3A4LMNATSHR

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 SLC6A3 49/4885SLC6A2 118/4885SLC6A4 10/4885

“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.