SCHEMBL4944054

SCHEMBL4944054

CON=C1CC(C(=O)N2CCC(O)CC2)N(C(=O)c2ccc(-c3ccccc3C)cc2)C1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 6/20 0.65
OXTR P30559 5/20 0.65
GHSR Q92847 1/20 0.40
SLC6A7 Q99884 1/20 0.40
AVPR2 P30518 3/20 0.39
FFAR2 O15552 3/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
NAMPT P43490 1/20 0.36
GRM5 P41594 1/20 0.35
GRM3 Q14832 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
SCHEMBL4944058 1.00 AVPR1A (0.65) AVPR1AOXTRGHSRSLC6A7AVPR2
SCHEMBL4942034 0.90 OXTR (0.58) AVPR1AOXTRMEN1GAAMAPT
SCHEMBL4942028 0.90 OXTR (0.58) AVPR1AOXTRMEN1GAAMAPT
SCHEMBL6982169 0.89 OXTR (0.51) AVPR1AOXTRAVPR2MEN1GAA
SCHEMBL24313450 0.85 AVPR1A (0.79) AVPR1AOXTRSLC6A7AVPR2FFAR2
SCHEMBL29449382 0.85 AVPR1A (0.79) AVPR1AOXTRSLC6A7AVPR2FFAR2
SCHEMBL4416107 0.85 AVPR1A (0.79) AVPR1AOXTRSLC6A7AVPR2FFAR2
SCHEMBL5034150 0.85 AVPR1A (0.79) AVPR1AOXTRSLC6A7AVPR2FFAR2
SCHEMBL5036670 0.85 AVPR1A (0.79) AVPR1AOXTRSLC6A7AVPR2FFAR2
SCHEMBL5745251 0.85 AVPR1A (0.46) AVPR1AOXTRGHSRSLC6A7AVPR2

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
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-20030212012-A1 Pharmaceutically active pyrrolidine derivatives MERCK SERONO SA (CH) 2003-11-13 US disclosed
EP-1268419-A1 PYRROLIDINE DERIVATIVES USEFUL AS BAX INHIBITORS Applied Research Systems ARS Holding N.V. (AN) 2003-01-02 EP disclosed
WO-2001072705-A1 PHARMACEUTICALLY ACTIVE PYRROLIDINE DERIVATIVES AS BAX INHIBITORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2001-10-04 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 AVPR1A 203/4885OXTR 1/4885GHSR 1321/4885
US-20080167318-A1 Pharmaceutically active pyrrolidine derivatives OXTR, PRLHR, NR0B1 AVPR1A 261/4885OXTR 1/4885GHSR 982/4885
US-20030171309-A1 Pharmaceutically active pyrrolidine derivatives as bax inhibitors SUCNR1, PYCR1, GLS AVPR1A 1456/4885OXTR 189/4885GHSR 1032/4885

“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.