SCHEMBL4944332

SCHEMBL4944332

CON=C1C[C@@H](C(=O)NCCNc2ccccc2)N(C(=O)c2ccc(-c3cccnc3)cc2)C1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OXTR P30559 5/20 0.61
AVPR1A P37288 3/20 0.53
CFTR P13569 1/20 0.39
PDE10A Q9Y233 1/20 0.39
ABL1 P00519 2/20 0.38
BCR P11274 2/20 0.38
HCRTR2 O43614 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
PABPC1 P11940 1/20 0.37
KMT2A Q03164 1/20 0.37
NAMPT P43490 2/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
MKNK1 Q9BUB5 3/20 0.36
MKNK2 Q9HBH9 3/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 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
SCHEMBL4944327 1.00 OXTR (0.61) OXTRAVPR1ACFTRPDE10AABL1
SCHEMBL4939792 0.93 OXTR (0.70) OXTRAVPR1AMEN1MAPTPABPC1
SCHEMBL7164251 0.93 OXTR (0.70) OXTRAVPR1AMEN1MAPTPABPC1
SCHEMBL4942108 0.92 OXTR (0.62) OXTRAVPR1ACFTRMEN1MAPT
SCHEMBL4942111 0.92 OXTR (0.62) OXTRAVPR1ACFTRMEN1MAPT
SCHEMBL4936572 0.86 OXTR (0.57) OXTRAVPR1AABL1BCRMEN1
SCHEMBL4936577 0.86 OXTR (0.57) OXTRAVPR1AABL1BCRMEN1
SCHEMBL4945199 0.85 OXTR (0.86) OXTRAVPR1ACFTRABL1BCR
SCHEMBL4942421 0.85 OXTR (0.86) OXTRAVPR1ACFTRABL1BCR
SCHEMBL4942423 0.85 OXTR (0.86) OXTRAVPR1ACFTRABL1BCR

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 13 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
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 (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 203/4885CFTR 2586/4885
US-20080167318-A1 Pharmaceutically active pyrrolidine derivatives OXTR, PRLHR, NR0B1 OXTR 1/4885AVPR1A 261/4885CFTR 2275/4885
US-20030171309-A1 Pharmaceutically active pyrrolidine derivatives as bax inhibitors SUCNR1, PYCR1, GLS OXTR 189/4885AVPR1A 1456/4885CFTR 899/4885

“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.