SCHEMBL4938413

SCHEMBL4938413

CON=C1C[C@@H](C(=O)N[C@@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)N(C(=O)c2ccc(-c3ccccc3OC)cc2)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OXTR P30559 5/20 0.53
AVPR1A P37288 3/20 0.53
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP3A4 P08684 1/20 0.40
MARS2 Q96GW9 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
FFAR2 O15552 3/20 0.38
MAPT P10636 4/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RPLP1 P05386 1/20 0.38
RPLP0 P05388 1/20 0.38
RPS17 P08708 1/20 0.38
RPSA P08865 1/20 0.38
RPS2 P15880 1/20 0.38

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
SCHEMBL4936808 0.93 OXTR (0.62) OXTRAVPR1AALDH1A1MEN1KMT2A
SCHEMBL4939070 0.93 OXTR (0.60) OXTRAVPR1AALDH1A1MEN1KMT2A
SCHEMBL5744307 0.93 OXTR (0.60) OXTRAVPR1AALDH1A1MEN1KMT2A
SCHEMBL5744303 0.93 OXTR (0.60) OXTRAVPR1AALDH1A1MEN1KMT2A
SCHEMBL4944113 0.84 OXTR (0.71) OXTRAVPR1AALDH1A1MEN1KMT2A
SCHEMBL7090233 0.81 OXTR (0.63) OXTRAVPR1AMAPK1ROCK2ROCK1
SCHEMBL4944075 0.81 OXTR (0.63) OXTRAVPR1AMAPK1ROCK2ROCK1
SCHEMBL4944077 0.81 OXTR (0.63) OXTRAVPR1AMAPK1ROCK2ROCK1
SCHEMBL7090766 0.79 OXTR (0.56) OXTRAVPR1ALMNAROCK2ROCK1
SCHEMBL4944293 0.78 OXTR (0.62) OXTRAVPR1ACYP3A4TSHRROCK2

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-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

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 203/4885ALDH1A1 3384/4885
US-20080167318-A1 Pharmaceutically active pyrrolidine derivatives OXTR, PRLHR, NR0B1 OXTR 1/4885AVPR1A 261/4885ALDH1A1 3219/4885
US-20030171309-A1 Pharmaceutically active pyrrolidine derivatives as bax inhibitors SUCNR1, PYCR1, GLS OXTR 189/4885AVPR1A 1456/4885ALDH1A1 3249/4885

“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.