SCHEMBL4942915

SCHEMBL4942915

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

nearest known ligand 0.75

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 6/20 0.75
OXTR P30559 5/20 0.75
LMNA P02545 2/20 0.40
AVPR2 P30518 3/20 0.40
PDE5A O76074 1/20 0.39
PDE11A Q9HCR9 1/20 0.39
FFAR2 O15552 3/20 0.38
SLC6A7 Q99884 1/20 0.36
MMP1 P03956 1/20 0.35
MMP3 P08254 1/20 0.35
MMP7 P09237 1/20 0.35
GHSR Q92847 1/20 0.35
SMYD2 Q9NRG4 1/20 0.35
PKM P14618 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
SCHEMBL7086467 1.00 AVPR1A (0.75) AVPR1AOXTRLMNAAVPR2PDE5A
SCHEMBL7086396 0.95 AVPR1A (0.73) AVPR1AOXTRLMNAAVPR2PDE5A
SCHEMBL4940423 0.95 AVPR1A (0.73) AVPR1AOXTRLMNAAVPR2PDE5A
SCHEMBL5759282 0.91 OXTR (0.73) AVPR1AOXTRAVPR2FFAR2
SCHEMBL4942676 0.91 OXTR (0.73) AVPR1AOXTRAVPR2FFAR2
SCHEMBL4939162 0.91 OXTR (0.73) AVPR1AOXTRLMNAFFAR2MMP1
SCHEMBL4944329 0.91 OXTR (0.73) AVPR1AOXTRLMNAFFAR2MMP1
SCHEMBL4945222 0.89 AVPR1A (0.73) AVPR1AOXTRAVPR2FFAR2SLC6A7
SCHEMBL4945483 0.89 AVPR1A (0.75) AVPR1AOXTRLMNAAVPR2FFAR2
SCHEMBL4938918 0.88 OXTR (0.85) AVPR1AOXTRLMNAAVPR2FFAR2

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