SCHEMBL4936870

SCHEMBL4936870

CCN(CC)CCNC(=O)[C@@H]1C/C(=N\OC)CN1C(=O)c1ccc(C#N)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OXTR P30559 4/20 0.51
AVPR1A P37288 3/20 0.47
MCHR1 Q99705 1/20 0.40
MMP1 P03956 4/20 0.36
MMP3 P08254 4/20 0.36
MMP7 P09237 4/20 0.36
MMP13 P45452 2/20 0.36
MMP2 P08253 2/20 0.36
HRH3 Q9Y5N1 2/20 0.35
SIGMAR1 Q99720 2/20 0.35
GFER P55789 1/20 0.35
SLC22A2 O15244 1/20 0.34
SLC22A1 O15245 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
ACHE P22303 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C19 P33261 1/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL4936877 1.00 OXTR (0.51) OXTRAVPR1AMCHR1MMP1MMP3
SCHEMBL4945255 0.88 OXTR (0.59) OXTRAVPR1AMMP1MMP3MMP7
SCHEMBL4945249 0.88 OXTR (0.59) OXTRAVPR1AMMP1MMP3MMP7
SCHEMBL4939740 0.86 OXTR (0.68) OXTRAVPR1AMCHR1MMP1MMP3
SCHEMBL4936042 0.80 OXTR (0.49) OXTRAVPR1AMCHR1MMP1MMP3
SCHEMBL4936046 0.80 OXTR (0.49) OXTRAVPR1AMCHR1MMP1MMP3
SCHEMBL4941472 0.77 OXTR (0.43) OXTRAVPR1AMMP1MMP3MMP7
SCHEMBL4941478 0.77 OXTR (0.43) OXTRAVPR1AMMP1MMP3MMP7
SCHEMBL4942285 0.76 OXTR (0.52) OXTRAVPR1ASIGMAR1
SCHEMBL4942283 0.76 OXTR (0.52) OXTRAVPR1ASIGMAR1

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 OXTR 1/4885AVPR1A 261/4885MCHR1 422/4885
US-20030171309-A1 Pharmaceutically active pyrrolidine derivatives as bax inhibitors SUCNR1, PYCR1, GLS OXTR 189/4885AVPR1A 1456/4885MCHR1 1400/4885

“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.