SCHEMBL4942292

SCHEMBL4942292

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

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OXTR P30559 5/20 0.70
AVPR1A P37288 3/20 0.61
LMNA P02545 2/20 0.43
TLR2 O60603 4/20 0.39
TLR1 Q15399 4/20 0.39
DRD2 P14416 3/20 0.38
DRD3 P35462 3/20 0.38
MMP1 P03956 1/20 0.38
MMP3 P08254 1/20 0.38
MMP7 P09237 1/20 0.38
DRD4 P21917 1/20 0.38
KCNH2 Q12809 1/20 0.38
PKM P14618 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
SCHEMBL7086637 1.00 OXTR (0.70) OXTRAVPR1ALMNATLR2TLR1
SCHEMBL4942110 0.97 OXTR (0.71) OXTRAVPR1ALMNATLR2TLR1
SCHEMBL4939162 0.93 OXTR (0.73) OXTRAVPR1ALMNAMMP1MMP3
SCHEMBL4944329 0.93 OXTR (0.73) OXTRAVPR1ALMNAMMP1MMP3
SCHEMBL4943696 0.89 OXTR (0.72) OXTRAVPR1ALMNAMMP1MMP3
SCHEMBL7086396 0.88 AVPR1A (0.73) OXTRAVPR1ALMNADRD2DRD3
SCHEMBL4940423 0.88 AVPR1A (0.73) OXTRAVPR1ALMNADRD2DRD3
SCHEMBL7088615 0.87 OXTR (0.70) OXTRAVPR1ALMNATLR2TLR1
SCHEMBL7164251 0.87 OXTR (0.70) OXTRAVPR1ALMNAMMP1MMP3
SCHEMBL4943384 0.87 OXTR (0.70) OXTRAVPR1ALMNATLR2TLR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080167318-A1 Pharmaceutically active pyrrolidine derivatives APPLIED RESEARCH SYSTEM ARS HOLDING N.V. (NL) 2008-07-10 US claimed
US-7211601-B2 Pharmaceutically active pyrrolidine derivatives APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2007-05-01 US claimed
EP-1268419-B1 PYRROLIDINE DERIVATIVES USEFUL AS BAX INHIBITORS APPLIED RESEARCH SYSTEMS (AN) 2006-06-21 EP claimed
US-20030212012-A1 Pharmaceutically active pyrrolidine derivatives MERCK SERONO SA (CH) 2003-11-13 US claimed
US-20030171309-A1 Pharmaceutically active pyrrolidine derivatives as bax inhibitors MERCK SERONO SA (CH) 2003-09-11 US claimed
US-20080167318-A1 Pharmaceutically active pyrrolidine derivatives APPLIED RESEARCH SYSTEM ARS HOLDING N.V. (NL) 2008-07-10 US disclosed
US-7211601-B2 Pharmaceutically active pyrrolidine derivatives APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2007-05-01 US disclosed
EP-1268419-B1 PYRROLIDINE DERIVATIVES USEFUL AS BAX INHIBITORS APPLIED RESEARCH SYSTEMS (AN) 2006-06-21 EP disclosed
EP-1268418-B1 PHARMACEUTICALLY ACTIVE PYRROLIDINE DERIVATIVES AS BAX INHIBITORS APPLIED RESEARCH SYSTEMS (AN) 2006-06-14 EP disclosed
US-7018988-B2 Pharmaceutically active pyrrolidine derivatives as Bax inhibitors APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2006-03-28 US disclosed
US-20030212012-A1 Pharmaceutically active pyrrolidine derivatives MERCK SERONO SA (CH) 2003-11-13 US disclosed
US-20030171309-A1 Pharmaceutically active pyrrolidine derivatives as bax inhibitors MERCK SERONO SA (CH) 2003-09-11 US disclosed
EP-1268419-A1 PYRROLIDINE DERIVATIVES USEFUL AS BAX INHIBITORS Applied Research Systems ARS Holding N.V. (AN) 2003-01-02 EP disclosed
WO-2001072705-A1 PHARMACEUTICALLY ACTIVE PYRROLIDINE DERIVATIVES AS BAX INHIBITORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2001-10-04 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-20030212012-A1 Pharmaceutically active pyrrolidine derivatives OXTR, CNR1, PRLHR OXTR 1/4885AVPR1A 203/4885LMNA 4054/4885
US-20080167318-A1 Pharmaceutically active pyrrolidine derivatives OXTR, PRLHR, NR0B1 OXTR 1/4885AVPR1A 261/4885LMNA 3767/4885
US-20030171309-A1 Pharmaceutically active pyrrolidine derivatives as bax inhibitors SUCNR1, PYCR1, GLS OXTR 189/4885AVPR1A 1456/4885LMNA 1490/4885

“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.