SCHEMBL5337121

SCHEMBL5337121

CC(N)c1ccccc1N1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.47
LMNA P02545 2/20 0.47
NSD2 O96028 1/20 0.47
MAPT P10636 4/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 3/20 0.46
HSD17B10 Q99714 2/20 0.45
ALOX15 P16050 1/20 0.45
AKR1C3 P42330 1/20 0.44
NCF1 P14598 2/20 0.41
POLB P06746 4/20 0.41
GAA P10253 2/20 0.41
THRB P10828 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
LGMN Q99538 1/20 0.40

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
SCHEMBL515194 0.87 L3MBTL1 (0.45) L3MBTL1LMNANSD2MAPTMEN1
SCHEMBL29809671 0.86 L3MBTL1 (0.49) L3MBTL1LMNANSD2MAPTMEN1
SCHEMBL4547926 0.86 L3MBTL1 (0.49) L3MBTL1LMNANSD2MAPTMEN1
SCHEMBL5795484 0.84 KEAP1 (0.55) L3MBTL1MAPTNPC1ALDH1A1NCF1
SCHEMBL5795776 0.84 KEAP1 (0.55) L3MBTL1MAPTNPC1ALDH1A1NCF1
SCHEMBL5793874 0.83 MC4R (0.51) L3MBTL1LMNANSD2MAPTMEN1
SCHEMBL17844326 0.83 L3MBTL1 (0.49) L3MBTL1LMNANSD2MAPTMEN1
SCHEMBL21202392 0.83 L3MBTL1 (0.46) L3MBTL1LMNANSD2MAPTMEN1
SCHEMBL1460357 0.83 L3MBTL1 (0.49) L3MBTL1LMNANSD2MAPTMEN1
Hydrochloric Acid SCHEMBL10677507 0.82 KEAP1 (0.53) L3MBTL1LMNAMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070232686-A1 Cyanoamidine P2X7 Antagonists for the Treatment of Pain CARROLL WILLIAM A 2007-10-04 US disclosed
US-7241776-B2 Cyanoamidine P2X7 antagonists for the treatment of pain ABBOTT LABORATORIES (US) 2007-07-10 US disclosed
US-20060079696-A1 Substituted compounds derived from N-(benzyl)phenylacetamide, preparation and uses GENFIT (FR) 2006-04-13 US disclosed
WO-2006035157-A2 SUBSTITUTED N-(BENZYL)PHENYLACETAMIDE DERIVATIVE COMPOUNDS, PREPARATION METHOD THEREOF AND USES OF SAME AS PPAR LIGANDS IN THE TREATMENT OF LIPID AND/OR GLUCIDIC DISORDERS GENFIT (FR) 2006-04-06 WO disclosed
WO-2006017406-A1 CYANOAMIDINE P2X7 ANTAGONISTS FOR THE TREATMENT OF PAIN ABBOTT LABORATORIES (US) 2006-02-16 WO disclosed
US-20060025614-A1 Cyanoamidine P2X7 antagonists for the treatment of pain ABBVIE INC. 2006-02-02 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 (3 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-20060079696-A1 Substituted compounds derived from N-(benzyl)phenylacetamide, preparation and uses AADAC, NAT1, PARN L3MBTL1 2320/4885LMNA 1111/4885NSD2 1176/4885
US-20060025614-A1 Cyanoamidine P2X7 antagonists for the treatment of pain P2RX2, P2RX1, P2RX7 L3MBTL1 3392/4885LMNA 2444/4885NSD2 3308/4885
US-20070232686-A1 Cyanoamidine P2X7 Antagonists for the Treatment of Pain P2RX2, P2RX1, P2RX7 L3MBTL1 3392/4885LMNA 2444/4885NSD2 3308/4885

“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.