SCHEMBL4415043

SCHEMBL4415043

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

nearest known ligand 0.80

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OXTR P30559 5/20 0.80
AVPR1A P37288 3/20 0.80
POLB P06746 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPK1 P28482 2/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
FFAR2 O15552 3/20 0.39
HPGD P15428 1/20 0.38
ABCB1 P08183 2/20 0.38
TSHR P16473 1/20 0.38
SPHK2 Q9NRA0 1/20 0.37

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
SCHEMBL4414525 1.00 OXTR (0.80) OXTRAVPR1APOLBMEN1KMT2A
SCHEMBL4415041 1.00 OXTR (0.80) OXTRAVPR1APOLBMEN1KMT2A
SCHEMBL4417747 1.00 OXTR (0.80) OXTRAVPR1APOLBMEN1KMT2A
SCHEMBL31155974 0.93 OXTR (0.76) OXTRAVPR1AMEN1KMT2AALDH1A1
SCHEMBL6449338 0.91 OXTR (0.67) OXTRAVPR1APOLBMEN1KMT2A
SCHEMBL4418576 0.91 OXTR (0.67) OXTRAVPR1APOLBMEN1KMT2A
SCHEMBL4418573 0.91 OXTR (0.67) OXTRAVPR1APOLBMEN1KMT2A
SCHEMBL4416652 0.91 OXTR (0.67) OXTRAVPR1APOLBMEN1KMT2A
SCHEMBL4416654 0.91 OXTR (0.67) OXTRAVPR1APOLBMEN1KMT2A
SCHEMBL8314834 0.91 OXTR (0.67) OXTRAVPR1APOLBMEN1KMT2A

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-1532109-B1 PYRROLIDINE DERIVATIVES AS OXYTOCIN ANTAGONISTS MERCK SERONO SA (CH) 2009-09-09 EP claimed
US-7115754-B2 Pyrrolidine derivatives as oxytocin antagonists APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2006-10-03 US claimed
US-20060004020-A1 Pyrrolidine derivatives as oxytocin antagonists MERCK SERONO SA (CH) 2006-01-05 US 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 3/4885POLB 1503/4885

“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.