SCHEMBL4945470

SCHEMBL4945470

CN(C)CCCC(=O)N1CC(=Cc2ccccc2)C[C@H]1C(=O)Nc1ccc2ncccc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.40
NPC1 O15118 4/20 0.39
POLB P06746 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
HDAC8 Q9BY41 3/20 0.38
HDAC1 Q13547 3/20 0.38
HDAC6 Q9UBN7 3/20 0.38
HDAC3 O15379 2/20 0.38
HDAC4 P56524 2/20 0.38
HDAC7 Q8WUI4 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC10 Q969S8 2/20 0.38
HDAC11 Q96DB2 2/20 0.38
HDAC9 Q9UKV0 2/20 0.38
HDAC5 Q9UQL6 2/20 0.38
ALDH1A1 P00352 3/20 0.38
CYP3A4 P08684 2/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL4945468 1.00 PABPC1 (0.40) PABPC1NPC1POLBMEN1MAPT
SCHEMBL4939571 0.79 NPY5R (0.48) NPC1MEN1MAPTKMT2AALDH1A1
SCHEMBL4939954 0.76 STK4 (0.37) NPC1POLBMEN1MAPTKMT2A
SCHEMBL4943061 0.71 PABPC1 (0.46) PABPC1NPC1POLBMEN1MAPT
SCHEMBL4944104 0.69 PTPN1 (0.43) PABPC1NPC1POLBMEN1MAPT
SCHEMBL4944092 0.69 PTPN1 (0.43) PABPC1NPC1POLBMEN1MAPT
SCHEMBL4942773 0.69 NPC1 (0.51) PABPC1NPC1POLBMEN1MAPT
SCHEMBL4944233 0.66 NOTUM (0.42) PABPC1NPC1POLBMEN1MAPT
SCHEMBL4944236 0.66 NOTUM (0.42) PABPC1NPC1POLBMEN1MAPT
SCHEMBL4945622 0.66 PABPC1 (0.48) PABPC1NPC1POLBMEN1MAPT

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 7 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-20030212012-A1 Pharmaceutically active pyrrolidine derivatives MERCK SERONO SA (CH) 2003-11-13 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 (3 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-20030212012-A1 Pharmaceutically active pyrrolidine derivatives OXTR, CNR1, PRLHR PABPC1 2918/4885NPC1 4009/4885POLB 2406/4885
US-20080167318-A1 Pharmaceutically active pyrrolidine derivatives OXTR, PRLHR, NR0B1 PABPC1 2887/4885NPC1 3969/4885POLB 2419/4885
US-20030171309-A1 Pharmaceutically active pyrrolidine derivatives as bax inhibitors SUCNR1, PYCR1, GLS PABPC1 2566/4885NPC1 1842/4885POLB 824/4885

“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.