SCHEMBL4180738

SCHEMBL4180738

NC(=O)CC(c1ccccc1)C1CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.61
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
NR3C2 P08235 1/20 0.48
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
GLA P06280 1/20 0.47
CYP2C19 P33261 3/20 0.46
TDP1 Q9NUW8 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
PKM P14618 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SLC6A3 Q01959 3/20 0.42
DRD3 P35462 2/20 0.42
LMNA P02545 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
EDNRB P24530 1/20 0.42
MAPK1 P28482 1/20 0.42
MC4R P32245 1/20 0.42

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
SCHEMBL4022914 0.94 FFAR1 (0.55) FFAR1MEN1KMT2ANR3C2ALDH1A1
SCHEMBL8007179 0.92 KMT2A (0.67) FFAR1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL27626466 0.89 FFAR1 (0.50) FFAR1MEN1KMT2ANR3C2ALDH1A1
SCHEMBL25152436 0.85 FFAR1 (0.81) FFAR1MEN1KMT2ANR3C2ALDH1A1
SCHEMBL22534357 0.85 FFAR1 (0.81) FFAR1MEN1KMT2ANR3C2ALDH1A1
SCHEMBL25152422 0.85 FFAR1 (0.81) FFAR1MEN1KMT2ANR3C2ALDH1A1
SCHEMBL28469916 0.84 FFAR1 (0.51) FFAR1MEN1KMT2ANR3C2ALDH1A1
SCHEMBL17761370 0.83 FFAR1 (0.50) FFAR1MEN1KMT2A
SCHEMBL17761367 0.83 FFAR1 (0.50) FFAR1MEN1KMT2A
SCHEMBL17761209 0.83 FFAR1 (0.50) FFAR1MEN1KMT2ANR3C2ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090069320-A1 Substituted 4-Amino-Quinazoline Compounds with Metabotropic Glutamate Receptor Regulating Activity and Uses Thereof GRUENENTHAL GMBH (DE) 2009-03-12 US 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-20090069320-A1 Substituted 4-Amino-Quinazoline Compounds with Metabotropic Glutamate Receptor Regulating Activity and Uses Thereof GRM1, GRIN1, GRM2 FFAR1 221/4885MEN1 4274/4885KMT2A 1642/4885

“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.