SCHEMBL3582113

SCHEMBL3582113

CN(C)C(c1ccc(Cl)cc1)C1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BCL2A1 Q16548 1/20 0.45
SLC6A4 P31645 11/20 0.44
SLC6A2 P23975 10/20 0.44
SLC6A3 Q01959 9/20 0.44
AKT1 P31749 1/20 0.41
ADRB2 P07550 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
CHRM1 P11229 1/20 0.37
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL1326713 0.83 BCL2A1 (0.46) BCL2A1SLC6A4SLC6A2SLC6A3ADRB2
SCHEMBL1327427 0.83 BCL2A1 (0.43) BCL2A1SLC6A4SLC6A2SLC6A3ADRB2
SCHEMBL3590453 0.82 SLC6A4 (0.40) SLC6A4SLC6A2SLC6A3CHRM1
SCHEMBL6258817 0.81 IDO1 (0.49) SLC6A4SLC6A2SLC6A3CHRM1GAA
SCHEMBL493536 0.81 BCL2A1 (0.45) BCL2A1SLC6A4SLC6A2SLC6A3ADRB2
SCHEMBL4091462 0.80 BCL2A1 (0.44) BCL2A1SLC6A4SLC6A2SLC6A3ADRB2
SCHEMBL13903208 0.79 GAA (0.47) SLC6A4SLC6A2SLC6A3CHRM1GAA
SCHEMBL17900515 0.79 GAA (0.47) SLC6A4SLC6A2SLC6A3CHRM1GAA
SCHEMBL493821 0.79 BCL2A1 (0.40) BCL2A1SLC6A4SLC6A2SLC6A3ADRB2
SCHEMBL1326749 0.79 BCL2A1 (0.43) BCL2A1SLC6A4SLC6A2SLC6A3GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7728028-B2 Substituted imidazoline compounds GRUENENTHAL GMBH (DE) 2010-06-01 US disclosed
US-20090048323-A1 SUBSTITUTED IMIDAZOLINE COMPOUNDS GRUENENTHAL GMBH (DE) 2009-02-19 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-20090048323-A1 SUBSTITUTED IMIDAZOLINE COMPOUNDS ITCH, OPRK1, ALDH1A1 BCL2A1 4352/4885SLC6A4 274/4885SLC6A2 355/4885

“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.