SCHEMBL4942276

SCHEMBL4942276

C=C1C[C@@H](C(=O)Nc2ccc3c(c2)c2ccccc2n3CC)N(C(=O)c2ccccc2)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.53
MAPT P10636 10/20 0.52
KDM4E B2RXH2 7/20 0.52
LMNA P02545 5/20 0.52
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
ALDH1A1 P00352 5/20 0.50
HPGD P15428 5/20 0.50
NPY5R Q15761 4/20 0.50
CNR1 P21554 1/20 0.50
CNR2 P34972 1/20 0.50
GAA P10253 1/20 0.50
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
HCRTR1 O43613 2/20 0.49
RORC P51449 1/20 0.49
REV1 Q9UBZ9 1/20 0.48
PAX8 Q06710 1/20 0.48
POLB P06746 1/20 0.48

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
SCHEMBL4945448 0.95 NPSR1 (0.50) NPSR1MAPTKDM4ELMNAMEN1
SCHEMBL4943227 0.89 RORC (0.54) NPSR1MAPTKDM4ELMNAMEN1
SCHEMBL4941687 0.86 NPSR1 (0.51) NPSR1MAPTKDM4ELMNAMEN1
SCHEMBL4940429 0.86 MAPT (0.51) NPSR1MAPTKDM4ELMNAMEN1
SCHEMBL7084978 0.86 MAPT (0.51) NPSR1MAPTKDM4ELMNAMEN1
SCHEMBL4941684 0.86 NPSR1 (0.51) NPSR1MAPTKDM4ELMNAMEN1
SCHEMBL4943010 0.86 NPSR1 (0.50) NPSR1MAPTKDM4ELMNAMEN1
SCHEMBL4943004 0.86 NPSR1 (0.50) NPSR1MAPTKDM4ELMNAMEN1
SCHEMBL4943417 0.85 NPSR1 (0.49) NPSR1MAPTKDM4ELMNAMEN1
SCHEMBL4943415 0.85 NPSR1 (0.49) NPSR1MAPTKDM4ELMNAMEN1

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-20080167318-A1 Pharmaceutically active pyrrolidine derivatives APPLIED RESEARCH SYSTEM ARS HOLDING N.V. (NL) 2008-07-10 US disclosed
US-7211601-B2 Pharmaceutically active pyrrolidine derivatives APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2007-05-01 US disclosed
EP-1268419-B1 PYRROLIDINE DERIVATIVES USEFUL AS BAX INHIBITORS APPLIED RESEARCH SYSTEMS (AN) 2006-06-21 EP disclosed
EP-1268418-B1 PHARMACEUTICALLY ACTIVE PYRROLIDINE DERIVATIVES AS BAX INHIBITORS APPLIED RESEARCH SYSTEMS (AN) 2006-06-14 EP disclosed
US-7018988-B2 Pharmaceutically active pyrrolidine derivatives as Bax inhibitors APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2006-03-28 US disclosed
US-20030171309-A1 Pharmaceutically active pyrrolidine derivatives as bax inhibitors MERCK SERONO SA (CH) 2003-09-11 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-20080167318-A1 Pharmaceutically active pyrrolidine derivatives OXTR, PRLHR, NR0B1 NPSR1 22/4885MAPT 4816/4885KDM4E 2451/4885
US-20030171309-A1 Pharmaceutically active pyrrolidine derivatives as bax inhibitors SUCNR1, PYCR1, GLS NPSR1 104/4885MAPT 2519/4885KDM4E 1468/4885

“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.