SCHEMBL4944290

SCHEMBL4944290

CO/N=C1\C[C@@H](C(=O)N[C@@H](CO)[C@H](O)c2ccccc2)N(C(=O)c2ccc(-c3cccnc3)cc2)C1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OXTR P30559 5/20 0.62
AVPR1A P37288 3/20 0.56
ROCK2 O75116 4/20 0.38
ROCK1 Q13464 2/20 0.38
ABL1 P00519 2/20 0.36
BCR P11274 2/20 0.36
CFTR P13569 1/20 0.34
MKNK1 Q9BUB5 2/20 0.34
MKNK2 Q9HBH9 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
ADAM17 P78536 1/20 0.34
DHPS P49366 1/20 0.34
ADRB3 P13945 1/20 0.33

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
SCHEMBL4944293 1.00 OXTR (0.62) OXTRAVPR1AROCK2ROCK1ABL1
SCHEMBL4944113 0.93 OXTR (0.71) OXTRAVPR1AROCK2ROCK1CYP3A4
SCHEMBL4944075 0.92 OXTR (0.63) OXTRAVPR1AROCK2ROCK1MKNK2
SCHEMBL4944077 0.92 OXTR (0.63) OXTRAVPR1AROCK2ROCK1MKNK2
SCHEMBL7090233 0.92 OXTR (0.63) OXTRAVPR1AROCK2ROCK1MKNK2
SCHEMBL4945203 0.85 OXTR (0.86) OXTRAVPR1AROCK2ROCK1ABL1
SCHEMBL4942423 0.85 OXTR (0.86) OXTRAVPR1AROCK2ROCK1ABL1
SCHEMBL4945199 0.85 OXTR (0.86) OXTRAVPR1AROCK2ROCK1ABL1
SCHEMBL4942421 0.85 OXTR (0.86) OXTRAVPR1AROCK2ROCK1ABL1
SCHEMBL5744303 0.85 OXTR (0.60) OXTRAVPR1ACYP3A4TSHR

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-20080167318-A1 Pharmaceutically active pyrrolidine derivatives APPLIED RESEARCH SYSTEM ARS HOLDING N.V. (NL) 2008-07-10 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 OXTR 1/4885AVPR1A 203/4885ROCK2 4254/4885
US-20080167318-A1 Pharmaceutically active pyrrolidine derivatives OXTR, PRLHR, NR0B1 OXTR 1/4885AVPR1A 261/4885ROCK2 4461/4885
US-20030171309-A1 Pharmaceutically active pyrrolidine derivatives as bax inhibitors SUCNR1, PYCR1, GLS OXTR 189/4885AVPR1A 1456/4885ROCK2 3744/4885

“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.