SCHEMBL4689599

SCHEMBL4689599

CN(c1ccccc1)C(C#N)CCl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.38
SLC6A2 P23975 6/20 0.37
SLC6A4 P31645 6/20 0.37
TP53 P04637 2/20 0.35
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAOB P27338 1/20 0.34
CYP2D6 P10635 2/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
HTT P42858 2/20 0.32
KMT2A Q03164 2/20 0.32
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.32
RAB9A P51151 1/20 0.32
MEN1 O00255 1/20 0.32
DRD2 P14416 1/20 0.32

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
SCHEMBL4692790 0.76 CYP2D6 (0.36) LMNASLC6A2SLC6A4TP53SMN1; SMN2
SCHEMBL28640840 0.74 MEN1 (0.38) SLC6A2SLC6A4TP53ALDH1A1MAOB
SCHEMBL6681144 0.74 CYP2D6 (0.35) LMNASLC6A2SLC6A4CYP2D6CYP3A4
SCHEMBL2059899 0.72 MAOB (0.38) SLC6A2SLC6A4TP53ALDH1A1MAOB
SCHEMBL149530 0.71 MAOB (0.36) LMNASLC6A2SLC6A4ALDH1A1SMN1; SMN2
SCHEMBL2566542 0.69 TSHR (0.38) LMNATP53ALDH1A1MAPTNPSR1
SCHEMBL10964311 0.67 SLC6A2 (0.33) LMNASLC6A2SLC6A4TP53ALDH1A1
SCHEMBL11704959 0.67 MAPT (0.40) TP53ALDH1A1MAPTNPSR1CRHBP
SCHEMBL2566392 0.67 AOC3 (0.37) LMNATP53ALDH1A1MAPTNPSR1
SCHEMBL28570141 0.66 SLC6A2 (0.46) LMNASLC6A2SLC6A4TP53ALDH1A1

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
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 LMNA 4513/4885SLC6A2 1957/4885SLC6A4 626/4885

“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.