SCHEMBL4939740

SCHEMBL4939740

CCN(CC)CCNC(=O)[C@@H]1CC(=NOC)CN1C(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OXTR P30559 5/20 0.68
AVPR1A P37288 3/20 0.57
MCHR1 Q99705 3/20 0.42
SIGMAR1 Q99720 1/20 0.41
HRH3 Q9Y5N1 4/20 0.40
TACR1 P25103 1/20 0.39
MAPT P10636 1/20 0.39
LMNA P02545 2/20 0.38
NAMPT P43490 1/20 0.38
MMP1 P03956 1/20 0.37
MMP3 P08254 1/20 0.37
MMP7 P09237 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
PKM P14618 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
SCHEMBL4945249 0.94 OXTR (0.59) OXTRAVPR1ASIGMAR1TACR1MAPT
SCHEMBL4945255 0.94 OXTR (0.59) OXTRAVPR1ASIGMAR1TACR1MAPT
SCHEMBL4944329 0.88 OXTR (0.73) OXTRAVPR1AMAPTLMNAMMP1
SCHEMBL4939162 0.88 OXTR (0.73) OXTRAVPR1AMAPTLMNAMMP1
SCHEMBL5734599 0.87 OXTR (0.53) OXTRAVPR1AMCHR1HRH3MAPT
SCHEMBL7081115 0.87 OXTR (0.53) OXTRAVPR1AMCHR1HRH3MAPT
SCHEMBL4939513 0.87 OXTR (0.53) OXTRAVPR1AMCHR1HRH3MAPT
SCHEMBL4943696 0.87 OXTR (0.72) OXTRAVPR1ATACR1MAPTLMNA
SCHEMBL4936877 0.86 OXTR (0.51) OXTRAVPR1AMCHR1SIGMAR1HRH3
SCHEMBL4936870 0.86 OXTR (0.51) OXTRAVPR1AMCHR1SIGMAR1HRH3

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7211601-B2 Pharmaceutically active pyrrolidine derivatives APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2007-05-01 US claimed
EP-1268419-B1 PYRROLIDINE DERIVATIVES USEFUL AS BAX INHIBITORS APPLIED RESEARCH SYSTEMS (AN) 2006-06-21 EP claimed
US-20030171309-A1 Pharmaceutically active pyrrolidine derivatives as bax inhibitors MERCK SERONO SA (CH) 2003-09-11 US claimed
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
EP-1268419-A1 PYRROLIDINE DERIVATIVES USEFUL AS BAX INHIBITORS Applied Research Systems ARS Holding N.V. (AN) 2003-01-02 EP disclosed
WO-2001072705-A1 PHARMACEUTICALLY ACTIVE PYRROLIDINE DERIVATIVES AS BAX INHIBITORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2001-10-04 WO 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 OXTR 1/4885AVPR1A 203/4885MCHR1 420/4885
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.