SCHEMBL301777

SCHEMBL301777

O=C1C[C@@H](CO)N(C(=O)c2ccc(-c3ccccc3)cc2)C1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OXTR P30559 1/20 0.51
AVPR1A P37288 1/20 0.51
HPGD P15428 2/20 0.44
MAPK1 P28482 1/20 0.44
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42
POLB P06746 2/20 0.41
SLC6A7 Q99884 2/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
RAB9A P51151 1/20 0.40
TSHR P16473 2/20 0.40
FASN P49327 1/20 0.40
ABCB1 P08183 1/20 0.40
SPHK2 Q9NRA0 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL4417850 1.00 OXTR (0.51) OXTRAVPR1AHPGDMAPK1HCRTR1
SCHEMBL4414514 0.89 HPGD (0.42) OXTRAVPR1AHPGDMAPK1HCRTR1
SCHEMBL4414519 0.89 HPGD (0.42) OXTRAVPR1AHPGDMAPK1HCRTR1
SCHEMBL4419397 0.89 HPGD (0.44) OXTRAVPR1AHPGDMAPK1HCRTR1
SCHEMBL8320159 0.89 HPGD (0.44) OXTRAVPR1AHPGDMAPK1HCRTR1
SCHEMBL4418365 0.88 HPGD (0.43) OXTRAVPR1AHPGDMAPK1HCRTR1
SCHEMBL4418361 0.88 HPGD (0.43) OXTRAVPR1AHPGDMAPK1HCRTR1
SCHEMBL4428848 0.86 AVPR1A (0.69) OXTRAVPR1AHCRTR1HCRTR2SLC6A7
SCHEMBL4428850 0.86 AVPR1A (0.69) OXTRAVPR1AHCRTR1HCRTR2SLC6A7
SCHEMBL13789901 0.85 SMN1; SMN2 (0.43) OXTRAVPR1AHPGDMAPK1HCRTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4851085-B2 2012-01-11 JP claimed
EP-1532109-B1 PYRROLIDINE DERIVATIVES AS OXYTOCIN ANTAGONISTS MERCK SERONO SA (CH) 2009-09-09 EP claimed
EP-1532109-A1 PYRROLIDINE DERIVATIVES AS OXYTOCIN ANTAGONISTS Applied Research Systems ARS Holding N.V. (AN) 2005-05-25 EP claimed
WO-2004005249-A1 PYRROLIDINE DERIVATIVES AS OXYTOCIN ANTAGONISTS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2004-01-15 WO claimed
EP-1532109-B1 PYRROLIDINE DERIVATIVES AS OXYTOCIN ANTAGONISTS MERCK SERONO SA (CH) 2009-09-09 EP disclosed
US-7115754-B2 Pyrrolidine derivatives as oxytocin 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

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

For each of this compound's patents that has machine-readable text (1 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-20060004020-A1 Pyrrolidine derivatives as oxytocin antagonists OXTR, PRLHR, AVPR1A OXTR 1/4885AVPR1A 3/4885HPGD 292/4885

“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.