SCHEMBL4941738

SCHEMBL4941738

COc1ccc(CO/N=C2\C[C@@H](C(=O)NCc3ccccc3)N(C(=O)C(c3ccccc3)c3ccccc3)C2)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 7/20 0.45
AGTR1 P30556 2/20 0.44
OXTR P30559 1/20 0.44
MMP1 P03956 1/20 0.43
MMP3 P08254 1/20 0.43
MMP7 P09237 1/20 0.43
MMP13 P45452 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
APP P05067 1/20 0.42

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
SCHEMBL4941744 1.00 AGTR2 (0.45) AGTR2AGTR1OXTRMMP1MMP3
SCHEMBL5481861 0.90 OXTR (0.56) AGTR2AGTR1OXTRMMP1MMP3
SCHEMBL4944248 0.90 USP2 (0.45) AGTR2AGTR1OXTRMMP1MMP3
SCHEMBL4944243 0.90 USP2 (0.45) AGTR2AGTR1OXTRMMP1MMP3
SCHEMBL4942159 0.87 AGTR2 (0.44) AGTR2AGTR1OXTRMMP1MMP3
SCHEMBL4941413 0.87 AGTR2 (0.41) AGTR2AGTR1OXTRMMP1MMP3
SCHEMBL4941411 0.87 AGTR2 (0.41) AGTR2AGTR1OXTRMMP1MMP3
SCHEMBL4942375 0.86 OXTR (0.46) AGTR2AGTR1OXTR
SCHEMBL4942366 0.86 OXTR (0.46) AGTR2AGTR1OXTR
SCHEMBL4936062 0.86 OXTR (0.56) AGTR2AGTR1OXTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 AGTR2 1273/4885AGTR1 1436/4885OXTR 1/4885
US-20080167318-A1 Pharmaceutically active pyrrolidine derivatives OXTR, PRLHR, NR0B1 AGTR2 1921/4885AGTR1 1611/4885OXTR 1/4885
US-20030171309-A1 Pharmaceutically active pyrrolidine derivatives as bax inhibitors SUCNR1, PYCR1, GLS AGTR2 2446/4885AGTR1 2130/4885OXTR 189/4885

“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.