SCHEMBL4944080

SCHEMBL4944080

C=CCON=C1C[C@@H](C(=O)Nc2ccc3c(c2)c2ccccc2n3CC)N(C(=O)c2ccc(C#N)cc2)C1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RORC P51449 8/20 0.50
MAPT P10636 8/20 0.42
KDM4E B2RXH2 7/20 0.42
LMNA P02545 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
HPGD P15428 3/20 0.42
HCRTR1 O43613 2/20 0.42
ALDH1A1 P00352 2/20 0.42
RAB9A P51151 2/20 0.42
PAX8 Q06710 1/20 0.42
DHODH Q02127 1/20 0.42
NPSR1 Q6W5P4 2/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
POLB P06746 1/20 0.41
RECQL P46063 1/20 0.41
NPC1 O15118 1/20 0.41
MAPK1 P28482 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
SCHEMBL4944078 1.00 RORC (0.50) RORCMAPTKDM4ELMNASMN1; SMN2
SCHEMBL4943009 0.93 NPSR1 (0.46) RORCMAPTKDM4ELMNASMN1; SMN2
SCHEMBL4943005 0.93 NPSR1 (0.46) RORCMAPTKDM4ELMNASMN1; SMN2
SCHEMBL4939477 0.91 OXTR (0.47) RORCMAPTKDM4ELMNASMN1; SMN2
SCHEMBL4943716 0.90 MAPT (0.45) MAPTKDM4ELMNASMN1; SMN2HPGD
SCHEMBL4943723 0.90 MAPT (0.45) MAPTKDM4ELMNASMN1; SMN2HPGD
SCHEMBL4943848 0.90 RORC (0.54) RORCMAPTKDM4ELMNASMN1; SMN2
SCHEMBL4943842 0.90 RORC (0.54) RORCMAPTKDM4ELMNASMN1; SMN2
SCHEMBL4943415 0.86 NPSR1 (0.49) RORCMAPTKDM4ELMNASMN1; SMN2
SCHEMBL4943417 0.86 NPSR1 (0.49) RORCMAPTKDM4ELMNASMN1; SMN2

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
US-7211601-B2 Pharmaceutically active pyrrolidine derivatives APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2007-05-01 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 RORC 375/4885MAPT 4816/4885KDM4E 2451/4885
US-20030171309-A1 Pharmaceutically active pyrrolidine derivatives as bax inhibitors SUCNR1, PYCR1, GLS RORC 264/4885MAPT 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.