SCHEMBL9891759

SCHEMBL9891759

CC(C)C1CCC(=O)N1c1ccc(Cl)c(Cl)c1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 6/20 0.49
SLC6A4 P31645 6/20 0.49
SLC6A3 Q01959 3/20 0.49
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ADAM17 P78536 1/20 0.41
GAA P10253 2/20 0.41
TSHR P16473 1/20 0.41
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HIF1A Q16665 1/20 0.39

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
SCHEMBL9891770 0.89 PKM (0.46) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL15198909 0.89 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL15198908 0.89 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL9891767 0.89 CCR1 (0.43) SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL9891760 0.87 KMT2A (0.45) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL9891766 0.87 IDO1 (0.38) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL9891731 0.83 CNR2 (0.42) MEN1KMT2ATSHRALDH1A1
SCHEMBL9891757 0.82 MDM2 (0.47) MEN1KMT2AGAATSHRALDH1A1
SCHEMBL16480476 0.80 SLC6A2 (0.68) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL9891753 0.80 L3MBTL1 (0.47) MEN1KMT2A

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 3 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
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 SLC6A2 2741/4885SLC6A4 2426/4885SLC6A3 2367/4885

“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.