SCHEMBL4944158

SCHEMBL4944158

C=CCO/N=C1\C[C@@H](C(=O)Nc2ccc3c(c2)c2ccccc2n3CC)N(C(=O)C(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY2R P49146 1/20 0.45
MAPT P10636 11/20 0.44
LMNA P02545 4/20 0.44
NPSR1 Q6W5P4 3/20 0.44
HPGD P15428 5/20 0.44
ALDH1A1 P00352 5/20 0.44
GAA P10253 1/20 0.44
KDM4E B2RXH2 8/20 0.43
RORC P51449 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
NPY5R Q15761 4/20 0.41
REV1 Q9UBZ9 1/20 0.41
RAB9A P51151 2/20 0.41
MAPK1 P28482 2/20 0.41
NPC1 O15118 1/20 0.41
HCRTR1 O43613 1/20 0.41
PAX8 Q06710 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL4944161 1.00 NPY2R (0.45) NPY2RMAPTLMNANPSR1HPGD
SCHEMBL5475200 1.00 NPY2R (0.45) NPY2RMAPTLMNANPSR1HPGD
SCHEMBL4939781 0.89 MAPT (0.48) NPY2RMAPTLMNANPSR1HPGD
SCHEMBL5735506 0.89 MAPT (0.48) NPY2RMAPTLMNANPSR1HPGD
SCHEMBL4943005 0.89 NPSR1 (0.46) MAPTLMNANPSR1HPGDALDH1A1
SCHEMBL4943009 0.89 NPSR1 (0.46) MAPTLMNANPSR1HPGDALDH1A1
SCHEMBL4939106 0.86 NPSR1 (0.45) MAPTLMNANPSR1HPGDALDH1A1
SCHEMBL4939112 0.86 NPSR1 (0.45) MAPTLMNANPSR1HPGDALDH1A1
SCHEMBL4939477 0.86 OXTR (0.47) MAPTLMNANPSR1HPGDALDH1A1
SCHEMBL4936232 0.86 MAPT (0.54) MAPTLMNANPSR1HPGDALDH1A1

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 4 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-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 NPY2R 71/4885MAPT 4816/4885LMNA 3767/4885
US-20030171309-A1 Pharmaceutically active pyrrolidine derivatives as bax inhibitors SUCNR1, PYCR1, GLS NPY2R 302/4885MAPT 2519/4885LMNA 1490/4885

“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.