SCHEMBL1984852

SCHEMBL1984852

CC(C)(C)OC(=O)NC1CN(Cc2ccccc2)CC1c1ccc(Cl)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.48
KMT2A Q03164 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
DRD2 P14416 4/20 0.43
DRD4 P21917 4/20 0.43
DRD3 P35462 4/20 0.43
SIGMAR1 Q99720 2/20 0.42
KDM1A O60341 2/20 0.41
MAOB P27338 1/20 0.41
SLC6A3 Q01959 2/20 0.40
MEN1 O00255 1/20 0.39
S1PR1 P21453 1/20 0.39
S1PR5 Q9H228 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
SCHEMBL1975660 1.00 PDE4B (0.48) PDE4BKMT2AL3MBTL1DRD2DRD4
SCHEMBL1984850 1.00 PDE4B (0.48) PDE4BKMT2AL3MBTL1DRD2DRD4
SCHEMBL1975870 0.91 PDE4B (0.46) PDE4BKMT2AL3MBTL1DRD2DRD4
SCHEMBL2016338 0.91 PDE4B (0.46) PDE4BKMT2AL3MBTL1DRD2DRD4
SCHEMBL19180711 0.91 PDE4B (0.46) PDE4BKMT2AL3MBTL1DRD2DRD4
SCHEMBL1975431 0.90 DRD2 (0.46) KMT2ADRD2DRD4DRD3SIGMAR1
SCHEMBL2226900 0.90 DRD2 (0.46) KMT2ADRD2DRD4DRD3SIGMAR1
SCHEMBL1986245 0.89 KMT2A (0.48) PDE4BKMT2AL3MBTL1SIGMAR1KDM1A
SCHEMBL2012023 0.89 KMT2A (0.48) PDE4BKMT2AL3MBTL1SIGMAR1KDM1A
SCHEMBL16780873 0.88 KMT2A (0.52) PDE4BKMT2AL3MBTL1DRD2DRD4

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
US-9346786-B2 Pyrrolidine compounds HOFFMANN-LA ROCHE INC. (US) 2016-05-24 US disclosed
EP-2513084-B1 PYRROLIDINE DERIVATIVES AS NK-3 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2015-07-22 EP disclosed
US-20130203728-A1 PYRROLIDINE COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2013-08-08 US disclosed
EP-2513052-A1 PYRROLIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-10-24 EP disclosed
WO-2011085886-A1 PYRROLIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-07-21 WO disclosed
US-20110152233-A1 PYRROLIDINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2011-06-23 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 (2 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-20130203728-A1 PYRROLIDINE COMPOUNDS SLC6A3, OPRL1, OPRK1 PDE4B 529/4885KMT2A 1681/4885L3MBTL1 4288/4885
US-20110152233-A1 PYRROLIDINE COMPOUNDS SLC6A3, OPRL1, OPRK1 PDE4B 529/4885KMT2A 1681/4885L3MBTL1 4288/4885

“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.