SCHEMBL631851

SCHEMBL631851

Nc1cccc(OC2CCCc3ccccc32)c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.56
GID4 Q8IVV7 1/20 0.46
SLC6A4 P31645 1/20 0.44
OPRM1 P35372 1/20 0.44
OPRK1 P41145 1/20 0.44
KCNH2 Q12809 1/20 0.44
FFAR1 O14842 1/20 0.43
MAOB P27338 1/20 0.40
GFRA2 O00451 1/20 0.40
GFRA3 O60609 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HTR6 P50406 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
GPR84 Q9NQS5 1/20 0.38
CYP3A4 P08684 1/20 0.38
LRRK2 Q5S007 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
SCHEMBL17319346 0.83 IDO1 (0.64) IDO1GID4SLC6A4FFAR1GPR84
SCHEMBL13577123 0.80 IDO1 (0.52) IDO1GID4SLC6A4FFAR1HTR6
SCHEMBL13577141 0.76 IDO1 (0.48) IDO1GID4SLC6A4FFAR1GFRA2
SCHEMBL11999020 0.76 FFAR1 (0.50) IDO1GID4SLC6A4FFAR1GFRA2
SCHEMBL191080 0.74 IDO1 (0.49) IDO1GID4SLC6A4OPRM1FFAR1
SCHEMBL18664062 0.74 LRRK2 (0.47) IDO1GID4SLC6A4OPRM1FFAR1
SCHEMBL8530467 0.74 IDO1 (0.50) IDO1GID4OPRM1OPRK1KCNH2
SCHEMBL1746643 0.74 IDO1 (0.50) IDO1GID4SLC6A4OPRM1OPRK1
SCHEMBL31360588 0.74 IDO1 (0.50) IDO1GID4SLC6A4FFAR1GFRA2
SCHEMBL12017975 0.73 IDO1 (0.61) IDO1SLC6A4FFAR1MAOBGFRA2

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 IDO1 57/4885GID4 19/4885SLC6A4 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.