SCHEMBL4940429

SCHEMBL4940429

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.51
LMNA P02545 3/20 0.51
NPSR1 Q6W5P4 2/20 0.51
ALDH1A1 P00352 4/20 0.50
HPGD P15428 4/20 0.50
GAA P10253 1/20 0.50
RORC P51449 2/20 0.49
NPY2R P49146 1/20 0.49
KDM4E B2RXH2 6/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
CNR1 P21554 1/20 0.48
CNR2 P34972 1/20 0.48
NPY5R Q15761 5/20 0.48
REV1 Q9UBZ9 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
POLB P06746 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL7084978 1.00 MAPT (0.51) MAPTLMNANPSR1ALDH1A1HPGD
SCHEMBL4942276 0.86 NPSR1 (0.53) MAPTLMNANPSR1ALDH1A1HPGD
SCHEMBL4943227 0.86 RORC (0.54) MAPTLMNANPSR1ALDH1A1HPGD
SCHEMBL5735506 0.86 MAPT (0.48) MAPTLMNANPSR1ALDH1A1HPGD
SCHEMBL4939781 0.86 MAPT (0.48) MAPTLMNANPSR1ALDH1A1HPGD
SCHEMBL5475200 0.84 NPY2R (0.45) MAPTLMNANPSR1ALDH1A1HPGD
SCHEMBL4944158 0.84 NPY2R (0.45) MAPTLMNANPSR1ALDH1A1HPGD
SCHEMBL4944161 0.84 NPY2R (0.45) MAPTLMNANPSR1ALDH1A1HPGD
SCHEMBL4945448 0.83 NPSR1 (0.50) MAPTLMNANPSR1ALDH1A1HPGD
SCHEMBL4944102 0.82 MAPT (0.50) MAPTLMNANPSR1ALDH1A1HPGD

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 5 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
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 MAPT 4816/4885LMNA 3767/4885NPSR1 22/4885
US-20030171309-A1 Pharmaceutically active pyrrolidine derivatives as bax inhibitors SUCNR1, PYCR1, GLS MAPT 2519/4885LMNA 1490/4885NPSR1 104/4885

“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.