SCHEMBL5041594

SCHEMBL5041594

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

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 6/20 0.73
OXTR P30559 5/20 0.73
AVPR2 P30518 3/20 0.44
FFAR2 O15552 3/20 0.41
SLC6A7 Q99884 1/20 0.40
GHSR Q92847 1/20 0.38
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38
PDK2 Q15119 1/20 0.37
MMP1 P03956 1/20 0.37
MMP3 P08254 1/20 0.37
MMP7 P09237 1/20 0.37
HTR1D P28221 1/20 0.36
HTR1B P28222 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
SCHEMBL24313533 1.00 AVPR1A (0.73) AVPR1AOXTRAVPR2FFAR2SLC6A7
SCHEMBL14492869 1.00 AVPR1A (0.73) AVPR1AOXTRAVPR2FFAR2SLC6A7
SCHEMBL29642177 1.00 AVPR1A (0.73) AVPR1AOXTRAVPR2FFAR2SLC6A7
SCHEMBL5041466 1.00 AVPR1A (0.73) AVPR1AOXTRAVPR2FFAR2SLC6A7
SCHEMBL24313476 1.00 AVPR1A (0.73) AVPR1AOXTRAVPR2FFAR2SLC6A7
SCHEMBL4416107 0.92 AVPR1A (0.79) AVPR1AOXTRAVPR2FFAR2SLC6A7
SCHEMBL5034150 0.92 AVPR1A (0.79) AVPR1AOXTRAVPR2FFAR2SLC6A7
SCHEMBL24313450 0.92 AVPR1A (0.79) AVPR1AOXTRAVPR2FFAR2SLC6A7
SCHEMBL29449382 0.92 AVPR1A (0.79) AVPR1AOXTRAVPR2FFAR2SLC6A7
SCHEMBL5036670 0.92 AVPR1A (0.79) AVPR1AOXTRAVPR2FFAR2SLC6A7

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 20 patents. 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-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
WO-2021043726-A1 OXYTOCIN ANTAGONIST DOSING REGIMENS FOR PROMOTING EMBRYO IMPLANTATION AND PREVENTING MISCARRIAGE ObsEva S.A. (CH) 2021-03-11 WO 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
US-9962367-B2 Oral formulations of pyrrolidine derivatives ObsEva S.A. (CH) 2018-05-08 US disclosed
US-20170240508-A1 PYRROLIDINE DERIVATIVES AS OXYTOCIN/VASOPRESSIN V1A RECEPTORS ANTAGONISTS ReproNovo SA (CH) 2017-08-24 US disclosed
US-20170240508-A1 PYRROLIDINE DERIVATIVES AS OXYTOCIN/VASOPRESSIN V1A RECEPTORS ANTAGONISTS ReproNovo SA (CH) 2017-08-24 US disclosed
US-20170065556-A1 ORAL FORMULATIONS OF PYRROLIDINE DERIVATIVES ReproNovo SA (CH) 2017-03-09 US disclosed
US-20150164859-A1 ORAL FORMULATIONS OF PYRROLIDINE DERIVATIVES ReproNovo SA (CH) 2015-06-18 US disclosed
US-20150164859-A1 ORAL FORMULATIONS OF PYRROLIDINE DERIVATIVES ReproNovo SA (CH) 2015-06-18 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-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-7189754-B2 Pyrrolidine ester derivatives with oxytocin modulating activity APPLIED RESEARCH SYSTEMS ARS HOLDING NV (AN) 2007-03-13 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 (7 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-20170240508-A1 PYRROLIDINE DERIVATIVES AS OXYTOCIN/VASOPRESSIN V1A RECEPTORS ANTAGONISTS AVPR1A, OXTR, AVPR2 AVPR1A 1/4885OXTR 2/4885AVPR2 3/4885
US-20200281892-A1 ORAL FORMULATIONS OF PYRROLIDINE DERIVATIVES KDM5A, KDM5C, KDM5B AVPR1A 2299/4885OXTR 76/4885AVPR2 1956/4885
US-20180215708-A1 PYRROLIDINE DERIVATIVES AS OXYTOCIN/VASOPRESSIN V1A RECEPTORS ANTAGONISTS OXTR, AVPR1A, AVPR2 AVPR1A 2/4885OXTR 1/4885AVPR2 3/4885
US-20070129381-A1 PHARMACEUTICALLY ACTIVE PYRROLIDINE ESTER DERIVATIVES OXTR, GPR6, CNR1 AVPR1A 39/4885OXTR 1/4885AVPR2 67/4885
US-20150164859-A1 ORAL FORMULATIONS OF PYRROLIDINE DERIVATIVES KDM5A, KDM5C, KDM5B AVPR1A 2299/4885OXTR 76/4885AVPR2 1956/4885
US-20170065556-A1 ORAL FORMULATIONS OF PYRROLIDINE DERIVATIVES KDM5A, KDM5C, KDM5B AVPR1A 2299/4885OXTR 76/4885AVPR2 1956/4885
US-20210047266-A1 PYRROLIDINE DERIVATIVES AS OXYTOCIN/VASOPRESSIN V1A RECEPTORS ANTAGONISTS OXTR, AVPR1A, AVPR2 AVPR1A 2/4885OXTR 1/4885AVPR2 3/4885

“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.