SCHEMBL5477341

SCHEMBL5477341

CON=C1C[C@@H](C(=O)O)N(C(=O)c2ccc(-c3c(C)cccc3C)cc2)C1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OXTR P30559 5/20 0.61
AVPR1A P37288 3/20 0.61
FFAR2 O15552 9/20 0.39
MMP1 P03956 1/20 0.36
MMP3 P08254 1/20 0.36
MMP7 P09237 1/20 0.36
PDE4B Q07343 1/20 0.35
ITGB1 P05556 1/20 0.34
ITGA5 P08648 1/20 0.34

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
SCHEMBL24313450 0.88 AVPR1A (0.79) OXTRAVPR1AFFAR2
SCHEMBL5034150 0.88 AVPR1A (0.79) OXTRAVPR1AFFAR2
SCHEMBL5036670 0.88 AVPR1A (0.79) OXTRAVPR1AFFAR2
SCHEMBL29449382 0.88 AVPR1A (0.79) OXTRAVPR1AFFAR2
SCHEMBL4416107 0.88 AVPR1A (0.79) OXTRAVPR1AFFAR2
SCHEMBL5041532 0.87 OXTR (0.68) OXTRAVPR1AFFAR2MMP1MMP3
SCHEMBL5482133 0.87 OXTR (0.68) OXTRAVPR1AFFAR2MMP1MMP3
SCHEMBL5566381 0.87 AVPR1A (0.77) OXTRAVPR1AFFAR2
SCHEMBL4945570 0.85 OXTR (0.61) OXTRAVPR1AMMP1MMP3MMP7
SCHEMBL4943016 0.84 OXTR (0.60) OXTRAVPR1AFFAR2MMP1MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1829861-A2 Pyrrolidine ester derivatives active as oxytocin antagonists Applied Research Systems ARS Holding N.V. (AN) 2007-09-05 EP claimed
US-20040147511-A1 Pyrrolidine ester derivatives with oxytocin modulating activity MERCK SERONO SA (CH) 2004-07-29 US claimed
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20070129381-A1 PHARMACEUTICALLY ACTIVE PYRROLIDINE ESTER DERIVATIVES OXTR, GPR6, CNR1 OXTR 1/4885AVPR1A 39/4885FFAR2 185/4885
US-20040147511-A1 Pyrrolidine ester derivatives with oxytocin modulating activity OXTR, OPRL1, OPRD1 OXTR 1/4885AVPR1A 28/4885FFAR2 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.