SCHEMBL4939792

SCHEMBL4939792

CON=C1C[C@@H](C(=O)NCCNc2ccccc2)N(C(=O)c2ccc(-c3ccccc3)cc2)C1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OXTR P30559 5/20 0.70
AVPR1A P37288 3/20 0.59
LMNA P02545 2/20 0.39
PKM P14618 1/20 0.39
CTSS P25774 1/20 0.39
MMP1 P03956 1/20 0.38
MMP3 P08254 1/20 0.38
MMP7 P09237 1/20 0.38
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
PABPC1 P11940 1/20 0.37
KMT2A Q03164 1/20 0.37
CTSK P43235 4/20 0.37
ITGB3 P05106 1/20 0.35
ITGAV P06756 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HTR1A P08908 1/20 0.35
HTR1B P28222 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
SCHEMBL7164251 1.00 OXTR (0.70) OXTRAVPR1ALMNAPKMCTSS
SCHEMBL4942108 0.94 OXTR (0.62) OXTRAVPR1ALMNAPKMCTSS
SCHEMBL4942111 0.94 OXTR (0.62) OXTRAVPR1ALMNAPKMCTSS
SCHEMBL4944332 0.93 OXTR (0.61) OXTRAVPR1ALMNAMEN1MAPT
SCHEMBL4944327 0.93 OXTR (0.61) OXTRAVPR1ALMNAMEN1MAPT
SCHEMBL4936572 0.90 OXTR (0.57) OXTRAVPR1ALMNAPKMMEN1
SCHEMBL4936577 0.90 OXTR (0.57) OXTRAVPR1ALMNAPKMMEN1
SCHEMBL4944329 0.89 OXTR (0.73) OXTRAVPR1ALMNAPKMMMP1
SCHEMBL4939162 0.89 OXTR (0.73) OXTRAVPR1ALMNAPKMMMP1
SCHEMBL4943696 0.89 OXTR (0.72) OXTRAVPR1ALMNAPKMMMP1

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
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-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 203/4885LMNA 4054/4885
US-20080167318-A1 Pharmaceutically active pyrrolidine derivatives OXTR, PRLHR, NR0B1 OXTR 1/4885AVPR1A 261/4885LMNA 3767/4885
US-20030171309-A1 Pharmaceutically active pyrrolidine derivatives as bax inhibitors SUCNR1, PYCR1, GLS OXTR 189/4885AVPR1A 1456/4885LMNA 1490/4885

“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.