SCHEMBL5482929

SCHEMBL5482929

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

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OXTR P30559 5/20 0.64
AVPR1A P37288 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.43
HTR1A P08908 4/20 0.42
HTR7 P34969 4/20 0.42
POLB P06746 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MMP1 P03956 1/20 0.39
MMP3 P08254 1/20 0.39
MMP7 P09237 1/20 0.39
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
FFAR2 O15552 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
SCHEMBL5482924 1.00 OXTR (0.64) OXTRAVPR1ASMN1; SMN2HTR1AHTR7
SCHEMBL5482133 0.92 OXTR (0.68) OXTRAVPR1APOLBMEN1KMT2A
SCHEMBL5041532 0.92 OXTR (0.68) OXTRAVPR1APOLBMEN1KMT2A
SCHEMBL5476822 0.90 OXTR (0.61) OXTRAVPR1ASMN1; SMN2POLBMEN1
SCHEMBL5476815 0.90 OXTR (0.61) OXTRAVPR1ASMN1; SMN2POLBMEN1
SCHEMBL5476808 0.90 OXTR (0.61) OXTRAVPR1ASMN1; SMN2POLBMEN1
SCHEMBL13083574 0.90 OXTR (0.61) OXTRAVPR1ASMN1; SMN2POLBMEN1
SCHEMBL14492868 0.88 OXTR (0.70) OXTRAVPR1ASMN1; SMN2POLBMEN1
SCHEMBL14217504 0.88 OXTR (0.70) OXTRAVPR1ASMN1; SMN2POLBMEN1
SCHEMBL4936752 0.88 AVPR1A (0.73) OXTRAVPR1AHTR1AHTR7FFAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1444225-B1 PYRROLIDINE OXADIAZOLE- AND THIADIAZOLE OXIME DERIVATIVES BEING OXYTOCIN RECEPTOR ANTAGONISTS. MERCK SERONO SA (CH) 2012-10-10 EP disclosed
EP-1725526-B1 METHOD FOR PREPARING PYRROLIDINE OXIMES SERONO LAB (CH) 2007-12-12 EP disclosed
US-20070197794-A1 Method for preparing pyrrolidine oximes APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2007-08-23 US disclosed
US-20060229343-A1 Pyrrolidine oxadiazole-and thiadiazole oxime derivatives being oxytocin receptor antagonists APPLIED RESEARCH SYSTEMS ARS HOLDDING N.V. (NL) 2006-10-12 US disclosed
US-7115639-B2 Pyrrolidine oxadiazole- and thiadiazole oxime derivatives being oxytocin receptor antagonists APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2006-10-03 US disclosed
US-20040220238-A1 Pyrrolidine oxadiazole-and thiadiazole derivatives MERCK SERONO SA (CH) 2004-11-04 US disclosed
EP-1444225-A2 PYRROLIDINE OXADIAZOLE- AND THIADIAZOLE OXIME DERIVATIVES BEING OXYTOCIN RECEPTOR ANTAGONISTS. Applied Research Systems ARS Holding N.V. (AN) 2004-08-11 EP disclosed
WO-2002102799-A2 PYRROLIDINE OXADIAZOLE- AND THIADIAZOLE OXIME DERIVATIVES BEING OXYTOCIN RECEPTOR ANTAGONISTS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2002-12-27 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 (3 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-20040220238-A1 Pyrrolidine oxadiazole-and thiadiazole derivatives OXTR, PRLHR, PGF OXTR 1/4885AVPR1A 16/4885SMN1; SMN2 2634/4885
US-20060229343-A1 Pyrrolidine oxadiazole-and thiadiazole oxime derivatives being oxytocin receptor antagonists OXTR, PRLHR, OXER1 OXTR 1/4885AVPR1A 18/4885SMN1; SMN2 2249/4885
US-20070197794-A1 Method for preparing pyrrolidine oximes PPOX, PGF, OXTR OXTR 3/4885AVPR1A 398/4885SMN1; SMN2 1202/4885

“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.