SCHEMBL4936046

SCHEMBL4936046

CCON=C1C[C@@H](C(=O)NCCN(CC)CC)N(C(=O)c2ccccc2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OXTR P30559 2/20 0.49
AVPR1A P37288 1/20 0.46
SIGMAR1 Q99720 1/20 0.43
P4HB P07237 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
TACR1 P25103 2/20 0.41
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 1/20 0.38
PKM P14618 1/20 0.38
POLB P06746 1/20 0.38
NAMPT P43490 1/20 0.37
GHSR Q92847 1/20 0.37
MMP1 P03956 1/20 0.37
MMP3 P08254 1/20 0.37
MMP7 P09237 1/20 0.37
MMP13 P45452 1/20 0.37
OPRM1 P35372 1/20 0.37
CFTR P13569 1/20 0.37
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL4936042 1.00 OXTR (0.49) OXTRAVPR1ASIGMAR1P4HBTSHR
SCHEMBL4945255 0.91 OXTR (0.59) OXTRAVPR1ASIGMAR1P4HBTSHR
SCHEMBL4945249 0.91 OXTR (0.59) OXTRAVPR1ASIGMAR1P4HBTSHR
SCHEMBL4939740 0.86 OXTR (0.68) OXTRAVPR1ASIGMAR1TACR1TDP1
SCHEMBL4944096 0.86 OXTR (0.43) OXTRAVPR1ASIGMAR1P4HBTSHR
SCHEMBL4944099 0.86 OXTR (0.43) OXTRAVPR1ASIGMAR1P4HBTSHR
SCHEMBL5472707 0.85 OXTR (0.46) OXTRAVPR1ASIGMAR1GHSRMMP1
SCHEMBL5472710 0.85 OXTR (0.46) OXTRAVPR1ASIGMAR1GHSRMMP1
SCHEMBL5734599 0.83 OXTR (0.53) OXTRAVPR1AHTTGHSRMMP1
SCHEMBL7081115 0.83 OXTR (0.53) OXTRAVPR1AHTTGHSRMMP1

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
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 261/4885SIGMAR1 55/4885
US-20030171309-A1 Pharmaceutically active pyrrolidine derivatives as bax inhibitors SUCNR1, PYCR1, GLS OXTR 189/4885AVPR1A 1456/4885SIGMAR1 330/4885

“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.