SCHEMBL4422932

SCHEMBL4422932

CO/N=C1\C[C@@H](C(=O)O)N(C(=O)O)C1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OXTR P30559 5/20 0.41
AVPR1A P37288 3/20 0.41
MMP1 P03956 8/20 0.40
MMP3 P08254 7/20 0.40
MMP7 P09237 7/20 0.40
MMP13 P45452 3/20 0.37
MMP2 P08253 3/20 0.37
POLB P06746 1/20 0.32
ACE P12821 2/20 0.31
CHEK1 O14757 1/20 0.31
JAK2 O60674 1/20 0.31

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
SCHEMBL31743283 1.00 OXTR (0.41) OXTRAVPR1AMMP1MMP3MMP7
SCHEMBL4422935 1.00 OXTR (0.41) OXTRAVPR1AMMP1MMP3MMP7
SCHEMBL6873980 0.89 OXTR (0.39) OXTRAVPR1AMMP1MMP3MMP7
SCHEMBL5946276 0.89 OXTR (0.39) OXTRAVPR1AMMP1MMP3MMP7
SCHEMBL27621658 0.89 OXTR (0.39) OXTRAVPR1AMMP1MMP3MMP7
SCHEMBL5946274 0.89 OXTR (0.39) OXTRAVPR1AMMP1MMP3MMP7
SCHEMBL5946182 0.85 OXTR (0.43) OXTRAVPR1AMMP1MMP3MMP7
SCHEMBL5946177 0.85 OXTR (0.43) OXTRAVPR1AMMP1MMP3MMP7
SCHEMBL5946005 0.83 HSD17B10 (0.39) OXTRAVPR1AMMP1MMP3MMP7
SCHEMBL4945424 0.83 HSD17B10 (0.39) OXTRAVPR1AMMP1MMP3MMP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1444225-B1 PYRROLIDINE OXADIAZOLE- AND THIADIAZOLE OXIME DERIVATIVES BEING OXYTOCIN RECEPTOR ANTAGONISTS. MERCK SERONO SA (CH) 2012-10-10 EP disclosed
EP-1532109-B1 PYRROLIDINE DERIVATIVES AS OXYTOCIN ANTAGONISTS MERCK SERONO SA (CH) 2009-09-09 EP disclosed
EP-1390347-B1 PYRROLIDINE ESTER DERIVATIVES WITH OXYTOCIN MODULATING ACTIVITY SERONO LAB (CH) 2008-05-07 EP disclosed
EP-1829861-A2 Pyrrolidine ester derivatives active as oxytocin antagonists Applied Research Systems ARS Holding N.V. (AN) 2007-09-05 EP disclosed
US-20070129381-A1 PHARMACEUTICALLY ACTIVE PYRROLIDINE ESTER DERIVATIVES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2007-06-07 US disclosed
US-7189754-B2 Pyrrolidine ester derivatives with oxytocin modulating activity APPLIED RESEARCH SYSTEMS ARS HOLDING NV (AN) 2007-03-13 US disclosed
US-20060229343-A1 Pyrrolidine oxadiazole-and thiadiazole oxime derivatives being oxytocin receptor antagonists APPLIED RESEARCH SYSTEMS ARS HOLDDING N.V. (NL) 2006-10-12 US disclosed
US-7115754-B2 Pyrrolidine derivatives as oxytocin antagonists APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2006-10-03 US disclosed
US-7115639-B2 Pyrrolidine oxadiazole- and thiadiazole oxime derivatives being oxytocin receptor antagonists APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2006-10-03 US disclosed
US-20060004020-A1 Pyrrolidine derivatives as oxytocin antagonists MERCK SERONO SA (CH) 2006-01-05 US disclosed
EP-1532109-A1 PYRROLIDINE DERIVATIVES AS OXYTOCIN ANTAGONISTS Applied Research Systems ARS Holding N.V. (AN) 2005-05-25 EP disclosed
US-20040220238-A1 Pyrrolidine oxadiazole-and thiadiazole derivatives MERCK SERONO SA (CH) 2004-11-04 US disclosed
US-20040147511-A1 Pyrrolidine ester derivatives with oxytocin modulating activity MERCK SERONO SA (CH) 2004-07-29 US disclosed
EP-1390347-A1 PYRROLIDINE ESTER DERIVATIVES WITH OXYTOCIN MODULATING ACTIVITY Applied Research Systems ARS Holding N.V. (AN) 2004-02-25 EP disclosed
WO-2004005249-A1 PYRROLIDINE DERIVATIVES AS OXYTOCIN ANTAGONISTS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2004-01-15 WO disclosed
WO-2002074741-A1 PYRROLIDINE ESTER DERIVATIVES WITH OXYTOCIN MODULATING ACITVITY APPLIED RESEARCH SYSTEMS ARS HOLDING NV (AN) 2002-09-26 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 (5 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-20040220238-A1 Pyrrolidine oxadiazole-and thiadiazole derivatives OXTR, PRLHR, PGF OXTR 1/4885AVPR1A 16/4885MMP1 3569/4885
US-20060229343-A1 Pyrrolidine oxadiazole-and thiadiazole oxime derivatives being oxytocin receptor antagonists OXTR, PRLHR, OXER1 OXTR 1/4885AVPR1A 18/4885MMP1 4151/4885
US-20060004020-A1 Pyrrolidine derivatives as oxytocin antagonists OXTR, PRLHR, AVPR1A OXTR 1/4885AVPR1A 3/4885MMP1 3593/4885
US-20070129381-A1 PHARMACEUTICALLY ACTIVE PYRROLIDINE ESTER DERIVATIVES OXTR, GPR6, CNR1 OXTR 1/4885AVPR1A 39/4885MMP1 4211/4885
US-20040147511-A1 Pyrrolidine ester derivatives with oxytocin modulating activity OXTR, OPRL1, OPRD1 OXTR 1/4885AVPR1A 28/4885MMP1 4346/4885

“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.