SCHEMBL4941763

SCHEMBL4941763

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

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 4/20 0.45
DRD3 P35462 1/20 0.43
KDM4E B2RXH2 8/20 0.43
MAPT P10636 8/20 0.43
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
LMNA P02545 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
NPSR1 Q6W5P4 1/20 0.42
REV1 Q9UBZ9 1/20 0.41
USP2 O75604 1/20 0.41
NPY2R P49146 1/20 0.40
ALDH1A1 P00352 4/20 0.40
RAB9A P51151 4/20 0.40
HPGD P15428 4/20 0.40
NPC1 O15118 3/20 0.40
RORC P51449 3/20 0.40
HCRTR1 O43613 2/20 0.40
PAX8 Q06710 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
SCHEMBL4941768 1.00 NPY5R (0.45) NPY5RDRD3KDM4EMAPTMEN1
SCHEMBL4943292 0.90 NPY5R (0.49) NPY5RDRD3KDM4EMAPTMEN1
SCHEMBL4943297 0.90 NPY5R (0.49) NPY5RDRD3KDM4EMAPTMEN1
SCHEMBL4939112 0.88 NPSR1 (0.45) NPY5RKDM4EMAPTMEN1KMT2A
SCHEMBL4939106 0.88 NPSR1 (0.45) NPY5RKDM4EMAPTMEN1KMT2A
SCHEMBL4936232 0.85 MAPT (0.54) KDM4EMAPTMEN1KMT2ALMNA
SCHEMBL4943005 0.85 NPSR1 (0.46) NPY5RKDM4EMAPTMEN1KMT2A
SCHEMBL4943009 0.85 NPSR1 (0.46) NPY5RKDM4EMAPTMEN1KMT2A
SCHEMBL4939900 0.85 NPY5R (0.52) NPY5RDRD3KDM4EMAPTMEN1
SCHEMBL4944161 0.83 NPY2R (0.45) NPY5RKDM4EMAPTMEN1KMT2A

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 NPY5R 42/4885DRD3 483/4885KDM4E 2553/4885
US-20080167318-A1 Pharmaceutically active pyrrolidine derivatives OXTR, PRLHR, NR0B1 NPY5R 35/4885DRD3 264/4885KDM4E 2451/4885
US-20030171309-A1 Pharmaceutically active pyrrolidine derivatives as bax inhibitors SUCNR1, PYCR1, GLS NPY5R 148/4885DRD3 2436/4885KDM4E 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.