SCHEMBL4418336

SCHEMBL4418336

CON=C1CCN(CO)C1

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30

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
SCHEMBL5953746 0.85 HTR5A (0.33)
SCHEMBL5953749 0.85 HTR5A (0.33)
SCHEMBL5953142 0.81 CHRM2 (0.30) CHRM2CHRM1CHRM3
SCHEMBL5953140 0.81 CHRM2 (0.30) CHRM2CHRM1CHRM3
SCHEMBL15467154 0.75 CARM1 (0.46)
SCHEMBL15473844 0.75 HRH3 (0.33)
SCHEMBL14155722 0.74 CYP2D6 (0.42) CHRM3
SCHEMBL7699465 0.73 CYP2D6 (0.39) CHRM2CHRM1CHRM3
SCHEMBL7699463 0.73 CYP2D6 (0.39) CHRM2CHRM1CHRM3
SCHEMBL18600363 0.71

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 5 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 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
EP-1532109-A1 PYRROLIDINE DERIVATIVES AS OXYTOCIN ANTAGONISTS Applied Research Systems ARS Holding N.V. (AN) 2005-05-25 EP disclosed
WO-2004005249-A1 PYRROLIDINE DERIVATIVES AS OXYTOCIN ANTAGONISTS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2004-01-15 WO 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 CHRM2 1029/4885CHRM1 233/4885CHRM3 1146/4885

“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.