SCHEMBL632501

SCHEMBL632501

Brc1cccc(CN(Cc2c[nH]cn2)c2ccccc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.40
TSHR P16473 3/20 0.40
CYP2D6 P10635 2/20 0.40
TAAR1 Q96RJ0 2/20 0.40
LMNA P02545 2/20 0.39
GLA P06280 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP1A2 P05177 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
PDE6A P16499 1/20 0.37
ADRA2C P18825 1/20 0.37
MC4R P32245 1/20 0.37
ADRA1A P35348 1/20 0.37
HRH1 P35367 1/20 0.37
OPRM1 P35372 1/20 0.37
DRD3 P35462 1/20 0.37

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
SCHEMBL631672 0.80 TAAR1 (0.41) TSHRCYP2D6TAAR1LMNAGLA
SCHEMBL632509 0.78 TAAR1 (0.41) BCHETSHRCYP2D6TAAR1CYP1A2
SCHEMBL14189363 0.74 TAAR1 (0.75) TAAR1
SCHEMBL11164170 0.73 TSHR (0.68) BCHETSHRTAAR1NR3C1PTGES
SCHEMBL1859320 0.72 CRHBP (0.54) BCHETSHRCYP2D6TAAR1LMNA
SCHEMBL632954 0.72 TAAR1 (0.41) TSHRCYP2D6TAAR1LMNACYP1A2
SCHEMBL632702 0.71 CNR2 (0.48) TSHRCYP2D6TAAR1CYP1A2KMT2A
SCHEMBL631574 0.71 TAAR1 (0.46) TSHRCYP2D6TAAR1LMNAGLA
SCHEMBL632332 0.71 QPCT (0.53) TAAR1SMN1; SMN2KMT2A
SCHEMBL632294 0.70 TRPM5 (0.50) TSHRTAAR1LMNASMN1; SMN2KMT2A

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 BCHE 373/4885TSHR 2098/4885CYP2D6 457/4885

“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.