SCHEMBL9891872

SCHEMBL9891872

CC(C)(C)C1CCCN1S(=O)(=O)c1ccc(Cl)cc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 5/20 0.61
PSEN2 P49810 5/20 0.61
APH1B Q8WW43 5/20 0.61
NCSTN Q92542 5/20 0.61
APH1A Q96BI3 5/20 0.61
PSENEN Q9NZ42 5/20 0.61
LMNA P02545 2/20 0.50
ACHE P22303 1/20 0.50
HCRTR1 O43613 1/20 0.50
HCRTR2 O43614 1/20 0.50
CASP1 P29466 1/20 0.50
TSHR P16473 1/20 0.49
POLB P06746 2/20 0.49
HSD17B10 Q99714 1/20 0.48
KDM4E B2RXH2 1/20 0.47
HTT P42858 1/20 0.47
SCN3A Q9NY46 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL16253036 0.96 PSEN1 (0.68) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9891875 0.87 HCRTR1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9891873 0.83 BRD4 (0.55) HCRTR1HCRTR2
SCHEMBL12203729 0.80 PSEN1 (0.91) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL16253044 0.79 MMP1 (0.59) LMNAHCRTR1HCRTR2TSHRKDM4E
SCHEMBL5915344 0.79 PSEN1 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9891506 0.77 HCRTR1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9893067 0.77 PSEN1 (0.92) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6179987 0.76 PSEN1 (0.79) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6179985 0.76 PSEN1 (0.79) PSEN1PSEN2APH1BNCSTNAPH1A

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-8629157-B2 Pyrrolidine compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US disclosed
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 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-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 PSEN1 3321/4885PSEN2 3028/4885APH1B 1785/4885

“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.