SCHEMBL4942999

SCHEMBL4942999

CC(=O)N1C/C(=N/OCc2ccc(Cl)c(Cl)c2)C[C@H]1C(=O)N[C@H](O)Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 3/20 0.39
MMP1 P03956 1/20 0.38
MMP3 P08254 1/20 0.38
MMP7 P09237 1/20 0.38
MMP13 P45452 1/20 0.38
GLP1R P43220 9/20 0.38
OXTR P30559 1/20 0.37
TACR1 P25103 3/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
YAP1 P46937 1/20 0.35

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
SCHEMBL6094964 0.87 TDP1 (0.43) MMP1MMP3MMP7MMP13GLP1R
SCHEMBL4938817 0.87 TDP1 (0.43) MMP1MMP3MMP7MMP13GLP1R
SCHEMBL4941926 0.85 OXTR (0.54) MMP1MMP3MMP7MMP13GLP1R
SCHEMBL4941922 0.85 OXTR (0.54) MMP1MMP3MMP7MMP13GLP1R
SCHEMBL5474000 0.85 OXTR (0.54) MMP1MMP3MMP7MMP13GLP1R
SCHEMBL6969682 0.82 MCHR1 (0.38) MMP1MMP3MMP7MMP13GLP1R
SCHEMBL6977855 0.82 MCHR1 (0.38) MMP1MMP3MMP7MMP13GLP1R
SCHEMBL4944181 0.82 MCHR1 (0.38) MMP1MMP3MMP7MMP13GLP1R
SCHEMBL4944176 0.82 MCHR1 (0.38) MMP1MMP3MMP7MMP13GLP1R
SCHEMBL4945653 0.78 P2RX7 (0.42) POLBCYP3A4CYP2C19

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-1268419-B1 PYRROLIDINE DERIVATIVES USEFUL AS BAX INHIBITORS APPLIED RESEARCH SYSTEMS (AN) 2006-06-21 EP 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
US-7018988-B2 Pharmaceutically active pyrrolidine derivatives as Bax inhibitors APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2006-03-28 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 (2 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-20080167318-A1 Pharmaceutically active pyrrolidine derivatives OXTR, PRLHR, NR0B1 CAPN1 2479/4885MMP1 4703/4885MMP3 4253/4885
US-20030171309-A1 Pharmaceutically active pyrrolidine derivatives as bax inhibitors SUCNR1, PYCR1, GLS CAPN1 2191/4885MMP1 4354/4885MMP3 4717/4885

“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.