SCHEMBL5036670

SCHEMBL5036670

CO/N=C1\C[C@@H](C(=O)O)N(C(=O)c2ccc(-c3ccccc3C)cc2)C1

nearest known ligand 0.79

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 6/20 0.79
OXTR P30559 5/20 0.79
FFAR2 O15552 11/20 0.47
AVPR2 P30518 3/20 0.45
SLC6A7 Q99884 1/20 0.41

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
SCHEMBL5034150 1.00 AVPR1A (0.79) AVPR1AOXTRFFAR2AVPR2SLC6A7
SCHEMBL4416107 1.00 AVPR1A (0.79) AVPR1AOXTRFFAR2AVPR2SLC6A7
SCHEMBL24313450 1.00 AVPR1A (0.79) AVPR1AOXTRFFAR2AVPR2SLC6A7
SCHEMBL29449382 1.00 AVPR1A (0.79) AVPR1AOXTRFFAR2AVPR2SLC6A7
SCHEMBL5566381 0.99 AVPR1A (0.77) AVPR1AOXTRFFAR2AVPR2SLC6A7
SCHEMBL14492869 0.92 AVPR1A (0.73) AVPR1AOXTRFFAR2AVPR2SLC6A7
SCHEMBL24313533 0.92 AVPR1A (0.73) AVPR1AOXTRFFAR2AVPR2SLC6A7
SCHEMBL4936752 0.92 AVPR1A (0.73) AVPR1AOXTRFFAR2AVPR2SLC6A7
SCHEMBL5041466 0.92 AVPR1A (0.73) AVPR1AOXTRFFAR2AVPR2SLC6A7
SCHEMBL5484719 0.92 AVPR1A (0.73) AVPR1AOXTRFFAR2AVPR2SLC6A7

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1390347-B1 PYRROLIDINE ESTER DERIVATIVES WITH OXYTOCIN MODULATING ACTIVITY SERONO LAB (CH) 2008-05-07 EP claimed
EP-1829861-A2 Pyrrolidine ester derivatives active as oxytocin antagonists Applied Research Systems ARS Holding N.V. (AN) 2007-09-05 EP claimed
US-7189754-B2 Pyrrolidine ester derivatives with oxytocin modulating activity APPLIED RESEARCH SYSTEMS ARS HOLDING NV (AN) 2007-03-13 US claimed
US-20040147511-A1 Pyrrolidine ester derivatives with oxytocin modulating activity MERCK SERONO SA (CH) 2004-07-29 US claimed
EP-1390347-A1 PYRROLIDINE ESTER DERIVATIVES WITH OXYTOCIN MODULATING ACTIVITY Applied Research Systems ARS Holding N.V. (AN) 2004-02-25 EP claimed
WO-2002074741-A1 PYRROLIDINE ESTER DERIVATIVES WITH OXYTOCIN MODULATING ACITVITY APPLIED RESEARCH SYSTEMS ARS HOLDING NV (AN) 2002-09-26 WO claimed
US-11312683-B2 Pyrrolidine derivatives as oxytocin/vasopressin via receptors antagonists ObsEva S.A. (CH) 2022-04-26 US disclosed
EP-3252037-B1 PROCESS FOR THE PREPARATION OF (3Z,5S)-5-(HYDROXYMETHYL)-1-[(2´-METHYL-1,1´-BIPHENYL-4-YL)CARBONYL)PYRROLIDIN-3-ONE O-METHYLOXIME ObsEva SA (CH) 2022-03-09 EP disclosed
US-20210047266-A1 PYRROLIDINE DERIVATIVES AS OXYTOCIN/VASOPRESSIN V1A RECEPTORS ANTAGONISTS ReproNovo SA (CH) 2021-02-18 US disclosed
US-20200281892-A1 ORAL FORMULATIONS OF PYRROLIDINE DERIVATIVES ReproNovo SA (CH) 2020-09-10 US disclosed
US-20180215708-A1 PYRROLIDINE DERIVATIVES AS OXYTOCIN/VASOPRESSIN V1A RECEPTORS ANTAGONISTS ReproNovo SA (CH) 2018-08-02 US disclosed
US-20180215708-A1 PYRROLIDINE DERIVATIVES AS OXYTOCIN/VASOPRESSIN V1A RECEPTORS ANTAGONISTS ReproNovo SA (CH) 2018-08-02 US disclosed
US-9962367-B2 Oral formulations of pyrrolidine derivatives ObsEva S.A. (CH) 2018-05-08 US 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-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-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 (6 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-20200281892-A1 ORAL FORMULATIONS OF PYRROLIDINE DERIVATIVES KDM5A, KDM5C, KDM5B AVPR1A 2299/4885OXTR 76/4885FFAR2 3352/4885
US-20180215708-A1 PYRROLIDINE DERIVATIVES AS OXYTOCIN/VASOPRESSIN V1A RECEPTORS ANTAGONISTS OXTR, AVPR1A, AVPR2 AVPR1A 2/4885OXTR 1/4885FFAR2 711/4885
US-11312683-B2 Pyrrolidine derivatives as oxytocin/vasopressin via receptors antagonists OXTR, AVPR1A, AVPR2 AVPR1A 2/4885OXTR 1/4885FFAR2 826/4885
US-20070129381-A1 PHARMACEUTICALLY ACTIVE PYRROLIDINE ESTER DERIVATIVES OXTR, GPR6, CNR1 AVPR1A 39/4885OXTR 1/4885FFAR2 185/4885
US-20210047266-A1 PYRROLIDINE DERIVATIVES AS OXYTOCIN/VASOPRESSIN V1A RECEPTORS ANTAGONISTS OXTR, AVPR1A, AVPR2 AVPR1A 2/4885OXTR 1/4885FFAR2 711/4885
US-20040147511-A1 Pyrrolidine ester derivatives with oxytocin modulating activity OXTR, OPRL1, OPRD1 AVPR1A 28/4885OXTR 1/4885FFAR2 315/4885

“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.