SCHEMBL4428850

SCHEMBL4428850

Cc1ccccc1-c1ccc(C(=O)N2CC(=O)C[C@H]2CO)cc1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 8/20 0.69
OXTR P30559 4/20 0.69
AVPR2 P30518 5/20 0.49
SLC6A7 Q99884 1/20 0.45
GHSR Q92847 1/20 0.42
CDK4 P11802 1/20 0.42
CCND1 P24385 1/20 0.42
FFAR2 O15552 2/20 0.41
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
GRIN2B Q13224 1/20 0.39
PLA2G7 Q13093 2/20 0.37
ABCB1 P08183 1/20 0.36
EDNRB P24530 1/20 0.36
EDNRA P25101 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
SCHEMBL4428848 1.00 AVPR1A (0.69) AVPR1AOXTRAVPR2SLC6A7GHSR
SCHEMBL21255738 0.87 AVPR1A (0.68) AVPR1AOXTRAVPR2SLC6A7GHSR
SCHEMBL4417850 0.86 OXTR (0.51) AVPR1AOXTRSLC6A7HCRTR1HCRTR2
SCHEMBL301777 0.86 OXTR (0.51) AVPR1AOXTRSLC6A7HCRTR1HCRTR2
Oxyquinoline SCHEMBL25424783 0.85 AVPR1A (0.53) AVPR1AOXTRAVPR2SLC6A7HCRTR1
SCHEMBL16550630 0.85 AVPR1A (0.78) AVPR1AOXTRAVPR2SLC6A7GHSR
SCHEMBL16550628 0.85 AVPR1A (0.78) AVPR1AOXTRAVPR2SLC6A7GHSR
SCHEMBL29642210 0.85 AVPR1A (0.78) AVPR1AOXTRAVPR2SLC6A7GHSR
SCHEMBL29449383 0.85 AVPR1A (0.78) AVPR1AOXTRAVPR2SLC6A7GHSR
SCHEMBL16559069 0.85 AVPR1A (0.78) AVPR1AOXTRAVPR2SLC6A7GHSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
EP-1532109-B1 PYRROLIDINE DERIVATIVES AS OXYTOCIN ANTAGONISTS MERCK SERONO SA (CH) 2009-09-09 EP claimed
US-20240228439-A1 PYRROLIDINE DERIVATIVES AS OXYTOCIN/VASOPRESSIN V1A RECEPTORS ANTAGONISTS ReproNovo SA (CH) 2024-07-11 US disclosed
US-20240228439-A1 PYRROLIDINE DERIVATIVES AS OXYTOCIN/VASOPRESSIN V1A RECEPTORS ANTAGONISTS ReproNovo SA (CH) 2024-07-11 US disclosed
US-20230226021-A1 ORAL FORMULATIONS OF PYRROLIDINE DERIVATIVES ReproNovo SA (CH) 2023-07-20 US disclosed
US-20230097933-A1 PYRROLIDINE DERIVATIVES AS OXYTOCIN/VASOPRESSIN V1A RECEPTORS ANTAGONISTS ReproNovo SA (CH) 2023-03-30 US disclosed
US-20230097933-A1 PYRROLIDINE DERIVATIVES AS OXYTOCIN/VASOPRESSIN V1A RECEPTORS ANTAGONISTS ReproNovo SA (CH) 2023-03-30 US disclosed
EP-4129979-A1 PYRROLIDINE DERIVATIVES AS OXYTOCIN/VASOPRESSIN V1A RECEPTORS ANTAGONISTS ObsEva S.A. (CH) 2023-02-08 EP disclosed
EP-4129979-A1 PYRROLIDINE DERIVATIVES AS OXYTOCIN/VASOPRESSIN V1A RECEPTORS ANTAGONISTS ObsEva S.A. (CH) 2023-02-08 EP disclosed
EP-4103750-A1 BIOMARKERS FOR OXYTOCIN RECEPTOR ANTAGONIST THERAPY ObsEva S.A. (CH) 2022-12-21 EP disclosed
US-11419851-B2 Oral formulations of pyrrolidine derivatives ObsEva S.A. (CH) 2022-08-23 US disclosed
WO-2016000920-A1 CRYSTALLINE (3Z,5S)-5-(HYDROXYMETHYL)-1-[(2'-METHYL-1,1'-BIPHENYL-4-YL)CARBONYL]PYRROLIDIN-3-ONE O-METHYLOXIME USEFUL IN METHODS OF TREATING CONDITIONS RELATED TO THE OT-R ACTIVITY ObsEva SA (CH) 2016-01-07 WO disclosed
WO-2016000920-A1 CRYSTALLINE (3Z,5S)-5-(HYDROXYMETHYL)-1-[(2'-METHYL-1,1'-BIPHENYL-4-YL)CARBONYL]PYRROLIDIN-3-ONE O-METHYLOXIME USEFUL IN METHODS OF TREATING CONDITIONS RELATED TO THE OT-R ACTIVITY ObsEva SA (CH) 2016-01-07 WO disclosed
WO-2016000920-A1 CRYSTALLINE (3Z,5S)-5-(HYDROXYMETHYL)-1-[(2'-METHYL-1,1'-BIPHENYL-4-YL)CARBONYL]PYRROLIDIN-3-ONE O-METHYLOXIME USEFUL IN METHODS OF TREATING CONDITIONS RELATED TO THE OT-R ACTIVITY ObsEva SA (CH) 2016-01-07 WO disclosed
US-20160002160-A1 CRYSTALLINE (3Z,5S)-5-(HYDROXYMETHYL)-1-[(2'-METHYL-1,1'-BIPHENYL-4-YL)CARBONYL]PYRROLIDIN-3-ONE O-METHYLOXIME, AND METHODS OF USING THE SAME ReproNovo SA (CH) 2016-01-07 US disclosed
WO-2015091365-A1 ORAL FORMULATIONS OF PYRROLIDINE DERIVATIVES ObsEva S.A. (CH) 2015-06-25 WO disclosed
EP-2886107-A1 Oral formulations of pyrrolydine derivatives ObsEva S.A. (CH) 2015-06-24 EP disclosed
US-20150164859-A1 ORAL FORMULATIONS OF PYRROLIDINE DERIVATIVES ReproNovo SA (CH) 2015-06-18 US disclosed
US-20150073032-A1 PYRROLIDINE DERIVATIVES AS OXYTOCIN/VASOPRESSIN V1A RECEPTORS ANTAGONISTS ReproNovo SA (CH) 2015-03-12 US disclosed
EP-2845850-A1 Pyrrolidine derivatives as oxytocin/vasopressin V1a receptors antagonists ObsEva S.A. (CH) 2015-03-11 EP 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-20150073032-A1 PYRROLIDINE DERIVATIVES AS OXYTOCIN/VASOPRESSIN V1A RECEPTORS ANTAGONISTS OXTR, AVPR1A, AVPR2 AVPR1A 2/4885OXTR 1/4885AVPR2 3/4885
US-20150164859-A1 ORAL FORMULATIONS OF PYRROLIDINE DERIVATIVES KDM5A, KDM5C, KDM5B AVPR1A 2299/4885OXTR 76/4885AVPR2 1956/4885
US-20230097933-A1 PYRROLIDINE DERIVATIVES AS OXYTOCIN/VASOPRESSIN V1A RECEPTORS ANTAGONISTS OXTR, AVPR1A, AVPR2 AVPR1A 2/4885OXTR 1/4885AVPR2 3/4885
US-11419851-B2 Oral formulations of pyrrolidine derivatives KDM5A, KDM5C, PGF AVPR1A 2409/4885OXTR 70/4885AVPR2 2053/4885
US-20160002160-A1 CRYSTALLINE (3Z,5S)-5-(HYDROXYMETHYL)-1-[(2'-METHYL-1,1'-BIPHENYL-4-YL)CARBONYL]PYRROLIDIN-3-ONE O-METHYLOXIME, AND METHODS OF USING THE SAME OXTR, OXER1, ZP1 AVPR1A 1692/4885OXTR 1/4885AVPR2 1815/4885
US-20240228439-A1 PYRROLIDINE DERIVATIVES AS OXYTOCIN/VASOPRESSIN V1A RECEPTORS ANTAGONISTS AVPR1A, OXTR, AVPR2 AVPR1A 1/4885OXTR 2/4885AVPR2 3/4885
US-20230226021-A1 ORAL FORMULATIONS OF PYRROLIDINE DERIVATIVES KDM5A, KDM5C, KDM5B AVPR1A 2299/4885OXTR 76/4885AVPR2 1956/4885

“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.