SCHEMBL4690778

SCHEMBL4690778

C=C(C#N)N(C)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.47
LMNA P02545 1/20 0.47
FAAH O00519 1/20 0.44
PHGDH O43175 1/20 0.44
MGLL Q99685 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
KMT2A Q03164 7/20 0.38
MEN1 O00255 3/20 0.38
ALDH1A1 P00352 4/20 0.38
MAPT P10636 2/20 0.38
MAPK1 P28482 2/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HTT P42858 2/20 0.35
IDE P14735 1/20 0.35

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
SCHEMBL28082270 0.78 NPSR1 (0.44) L3MBTL1KMT2AMEN1ALDH1A1MAPT
SCHEMBL15494364 0.78 FAAH (0.47) L3MBTL1LMNAFAAHPHGDHMGLL
SCHEMBL25137365 0.75 FAAH (0.44) L3MBTL1LMNAFAAHPHGDHMGLL
SCHEMBL23033319 0.75 FAAH (0.44) L3MBTL1LMNAFAAHPHGDHMGLL
SCHEMBL15494493 0.73 FAAH (0.42) L3MBTL1LMNAFAAHPHGDHMGLL
SCHEMBL14217912 0.73 FAAH (0.50) L3MBTL1LMNAFAAHPHGDHMGLL
SCHEMBL24280543 0.72 FAAH (0.45) L3MBTL1LMNAFAAHPHGDHMGLL
SCHEMBL25137334 0.72 FAAH (0.41) L3MBTL1LMNAFAAHPHGDHMGLL
Acetonitrile SCHEMBL11793629 0.71 KMT2A (0.46) L3MBTL1LMNAFAAHPHGDHMGLL
SCHEMBL15382025 0.70 KMT2A (0.50) L3MBTL1LMNAFAAHPHGDHMGLL

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
EP-1419160-B1 METHOD FOR THE PRODUCTION OF 6-(4-CHLOROPHENYL)-2,2-DIMETHYL-7-PHENYL-2,3-DIHYDRO-1H-PYRROLIZIN-5-YLACETIC ACID MERCKLE GMBH (DE) 2008-12-10 EP disclosed
EP-1419160-B1 METHOD FOR THE PRODUCTION OF 6-(4-CHLOROPHENYL)-2,2-DIMETHYL-7-PHENYL-2,3-DIHYDRO-1H-PYRROLIZIN-5-YLACETIC ACID MERCKLE GMBH (DE) 2008-12-10 EP disclosed
US-7078535-B2 Method for the production of 6-(4-chlorophenyl)-2,2-dimethyl-7-phenyl-2,3-dihydro-1h-pyrrolizin-5-ylacetic acid MERCKLE GMBH (DE) 2006-07-18 US disclosed
US-20040236117-A1 Method for the production of 6-(4-chlorophenyl)-2,2-dimethyl-7-phenyl-2,3-dihydro-1h-pyrrolizin-5-ylacetic acid MERCKLE GMBH (DE) 2004-11-25 US disclosed
EP-1419160-A1 METHOD FOR THE PRODUCTION OF 6-(4-CHLOROPHENYL)-2,2-DIMETHYL-7-PHENYL-2,3-DIHYDRO-1H-PYRROLIZIN-5-YLACETIC ACID MERCKLE GMBH (DE) 2004-05-19 EP disclosed
WO-2003018583-A1 METHOD FOR THE PRODUCTION OF 6-(4-CHLOROPHENYL)-2,2-DIMETHYL-7-PHENYL-2,3-DIHYDRO-1H-PYRROLIZIN-5-YLACETIC ACID MERCKLE GMBH (DE) 2003-03-06 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-20040236117-A1 Method for the production of 6-(4-chlorophenyl)-2,2-dimethyl-7-phenyl-2,3-dihydro-1h-pyrrolizin-5-ylacetic acid KMO, HPD, PDK4 L3MBTL1 4608/4885LMNA 4513/4885FAAH 1484/4885

“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.