SCHEMBL4940738

SCHEMBL4940738

CCn1c2ccccc2c2cc(NC(=O)[C@@H]3CC(=CC#N)CN3C(=O)c3ccc(-c4ccccc4)cc3)ccc21

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RORC P51449 8/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MAPT P10636 8/20 0.44
KDM4E B2RXH2 6/20 0.44
LMNA P02545 4/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 3/20 0.44
HCRTR1 O43613 2/20 0.44
HPGD P15428 2/20 0.44
RAB9A P51151 2/20 0.44
PAX8 Q06710 1/20 0.44
DHODH Q02127 1/20 0.44
NPY5R Q15761 1/20 0.43
POLB P06746 1/20 0.43
RECQL P46063 1/20 0.43
NPC1 O15118 1/20 0.43

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
SCHEMBL4943431 0.92 CFTR (0.48) RORCNPSR1MAPTKDM4ELMNA
SCHEMBL4943437 0.92 CFTR (0.48) RORCNPSR1MAPTKDM4ELMNA
SCHEMBL4942528 0.86 MAPT (0.47) RORCNPSR1MAPTKDM4ELMNA
SCHEMBL4942523 0.86 MAPT (0.47) RORCNPSR1MAPTKDM4ELMNA
SCHEMBL4945448 0.85 NPSR1 (0.50) RORCNPSR1MAPTKDM4ELMNA
SCHEMBL4941687 0.84 NPSR1 (0.51) RORCNPSR1MAPTKDM4ELMNA
SCHEMBL4941684 0.84 NPSR1 (0.51) RORCNPSR1MAPTKDM4ELMNA
SCHEMBL4943004 0.84 NPSR1 (0.50) RORCNPSR1MAPTKDM4ELMNA
SCHEMBL4943010 0.84 NPSR1 (0.50) RORCNPSR1MAPTKDM4ELMNA
SCHEMBL4938506 0.83 OXTR (0.59) NPSR1MAPTKDM4ELMNAMEN1

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 6 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-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 375/4885NPSR1 22/4885MAPT 4816/4885
US-20030171309-A1 Pharmaceutically active pyrrolidine derivatives as bax inhibitors SUCNR1, PYCR1, GLS RORC 264/4885NPSR1 104/4885MAPT 2519/4885

“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.