SCHEMBL4943016

SCHEMBL4943016

CON=C1C[C@@H](C(=O)NC(CO)CO)N(C(=O)c2ccc(-c3c(C)cccc3C)cc2)C1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OXTR P30559 5/20 0.60
AVPR1A P37288 3/20 0.60
FFAR2 O15552 5/20 0.34
MMP1 P03956 7/20 0.33
MMP3 P08254 6/20 0.33
MMP7 P09237 6/20 0.33
MMP13 P45452 3/20 0.33
MMP2 P08253 2/20 0.33
LMNA P02545 1/20 0.32
PKM P14618 1/20 0.32
ITGA4 P13612 1/20 0.32
ITGB7 P26010 1/20 0.32

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
SCHEMBL6095546 0.91 OXTR (0.62) OXTRAVPR1AFFAR2MMP1MMP3
SCHEMBL4942152 0.89 OXTR (0.69) OXTRAVPR1AFFAR2MMP1MMP3
SCHEMBL5477341 0.84 OXTR (0.61) OXTRAVPR1AFFAR2MMP1MMP3
SCHEMBL4945570 0.84 OXTR (0.61) OXTRAVPR1AMMP1MMP3MMP7
SCHEMBL4938849 0.83 OXTR (0.59) OXTRAVPR1AMMP1MMP3MMP7
SCHEMBL7085939 0.82 AVPR1A (0.61) OXTRAVPR1AFFAR2MMP1MMP3
SCHEMBL4949415 0.82 AVPR1A (0.61) OXTRAVPR1AFFAR2MMP1MMP3
SCHEMBL7086568 0.82 OXTR (0.85) OXTRAVPR1AMMP1MMP3MMP7
SCHEMBL4943349 0.81 OXTR (0.75) OXTRAVPR1AFFAR2MMP1MMP3
SCHEMBL7219648 0.81 OXTR (0.75) OXTRAVPR1AFFAR2MMP1MMP3

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 12 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-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
EP-1268418-A1 PHARMACEUTICALLY ACTIVE PYRROLIDINE DERIVATIVES AS BAX INHIBITORS Applied Research Systems ARS Holding N.V. (AN) 2003-01-02 EP disclosed
WO-2001074769-A1 PHARMACEUTICALLY ACTIVE PYRROLIDINE DERIVATIVES AS BAX INHIBITORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2001-10-11 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 (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 OXTR 1/4885AVPR1A 203/4885FFAR2 810/4885
US-20080167318-A1 Pharmaceutically active pyrrolidine derivatives OXTR, PRLHR, NR0B1 OXTR 1/4885AVPR1A 261/4885FFAR2 1428/4885

“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.