SCHEMBL4945222

SCHEMBL4945222

CON=C1C[C@@H](C(=O)NCC(N)=O)N(C(=O)c2ccc(-c3ccccc3C)cc2)C1

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 6/20 0.73
OXTR P30559 5/20 0.73
AVPR2 P30518 3/20 0.39
CYP3A4 P08684 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 3/20 0.38
CYP1A2 P05177 2/20 0.38
POLB P06746 1/20 0.38
CYP2C19 P33261 1/20 0.38
FFAR2 O15552 3/20 0.37
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SLC6A7 Q99884 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
MMP1 P03956 1/20 0.35
MMP3 P08254 1/20 0.35
MMP7 P09237 1/20 0.35
GHSR Q92847 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
SCHEMBL4945570 0.91 OXTR (0.61) AVPR1AOXTRCYP3A4KMT2AALDH1A1
SCHEMBL4945500 0.91 OXTR (0.61) AVPR1AOXTRAVPR2CYP3A4KMT2A
SCHEMBL7080626 0.90 OXTR (0.72) AVPR1AOXTRCYP3A4KMT2AALDH1A1
SCHEMBL4939488 0.90 OXTR (0.72) AVPR1AOXTRCYP3A4KMT2AALDH1A1
SCHEMBL7086467 0.89 AVPR1A (0.75) AVPR1AOXTRAVPR2FFAR2SLC6A7
SCHEMBL4942915 0.89 AVPR1A (0.75) AVPR1AOXTRAVPR2FFAR2SLC6A7
SCHEMBL4940423 0.88 AVPR1A (0.73) AVPR1AOXTRAVPR2FFAR2SLC6A7
SCHEMBL7086396 0.88 AVPR1A (0.73) AVPR1AOXTRAVPR2FFAR2SLC6A7
SCHEMBL4945483 0.87 AVPR1A (0.75) AVPR1AOXTRAVPR2ALDH1A1FFAR2
SCHEMBL4936752 0.87 AVPR1A (0.73) AVPR1AOXTRAVPR2FFAR2SLC6A7

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
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
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 AVPR1A 203/4885OXTR 1/4885AVPR2 226/4885
US-20080167318-A1 Pharmaceutically active pyrrolidine derivatives OXTR, PRLHR, NR0B1 AVPR1A 261/4885OXTR 1/4885AVPR2 387/4885
US-20030171309-A1 Pharmaceutically active pyrrolidine derivatives as bax inhibitors SUCNR1, PYCR1, GLS AVPR1A 1456/4885OXTR 189/4885AVPR2 1695/4885

“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.