SCHEMBL4944368

SCHEMBL4944368

C=CCON=C1C[C@@H](C(=O)NCCN(CC)CC)N(C(=O)c2ccc(CCCCC)oc2=O)C1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.34
MMP1 P03956 1/20 0.31
MMP3 P08254 1/20 0.31
MMP7 P09237 1/20 0.31
MMP13 P45452 1/20 0.31
STAT3 P40763 1/20 0.31
OXTR P30559 1/20 0.30

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
SCHEMBL4944366 1.00 TACR1 (0.34) TACR1MMP1MMP3MMP7MMP13
SCHEMBL4939761 0.78 CFTR (0.36)
SCHEMBL4939765 0.78 CFTR (0.36)
SCHEMBL4949431 0.78 MAPT (0.40)
SCHEMBL4949437 0.78 MAPT (0.40)
SCHEMBL4945461 0.77 MMP1 (0.40) TACR1MMP1MMP3MMP7MMP13
SCHEMBL4945463 0.77 MMP1 (0.40) TACR1MMP1MMP3MMP7MMP13
SCHEMBL4942949 0.76 EPHX2 (0.39)
SCHEMBL4942950 0.76 EPHX2 (0.39)
SCHEMBL4943333 0.74 OXTR (0.40) MMP1MMP3MMP7MMP13OXTR

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
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-20030212012-A1 Pharmaceutically active pyrrolidine derivatives MERCK SERONO SA (CH) 2003-11-13 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-20030212012-A1 Pharmaceutically active pyrrolidine derivatives OXTR, CNR1, PRLHR TACR1 72/4885MMP1 4697/4885MMP3 4269/4885
US-20080167318-A1 Pharmaceutically active pyrrolidine derivatives OXTR, PRLHR, NR0B1 TACR1 87/4885MMP1 4703/4885MMP3 4253/4885

“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.