SCHEMBL4940289

SCHEMBL4940289

CON=C1C[C@@H](C(=O)NCc2ccc(OC)c(OC)c2)N(C(=O)c2ccc(-c3ccccc3)cc2)C1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OXTR P30559 3/20 0.65
AVPR1A P37288 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
ACHE P22303 1/20 0.52
BACE1 P56817 1/20 0.52
ALDH1A1 P00352 1/20 0.49
POLB P06746 1/20 0.46
NPC1 O15118 1/20 0.44
PKM P14618 1/20 0.44
RAB9A P51151 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NAMPT P43490 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL5744747 1.00 OXTR (0.65) OXTRAVPR1ASMN1; SMN2ACHEBACE1
SCHEMBL5744744 1.00 OXTR (0.65) OXTRAVPR1ASMN1; SMN2ACHEBACE1
SCHEMBL4944228 0.89 OXTR (0.73) OXTRAVPR1ANPC1PKMRAB9A
SCHEMBL4943936 0.87 SMN1; SMN2 (0.58) OXTRSMN1; SMN2ACHEBACE1ALDH1A1
SCHEMBL4939637 0.86 OXTR (0.62) OXTRAVPR1ASMN1; SMN2ALDH1A1POLB
SCHEMBL4944443 0.83 AGTR2 (0.50) OXTRAVPR1ASMN1; SMN2ACHEBACE1
SCHEMBL4944440 0.83 AGTR2 (0.50) OXTRAVPR1ASMN1; SMN2ACHEBACE1
SCHEMBL7218902 0.83 AGTR2 (0.50) OXTRAVPR1ASMN1; SMN2ACHEBACE1
SCHEMBL4939488 0.83 OXTR (0.72) OXTRAVPR1ASMN1; SMN2ALDH1A1POLB
SCHEMBL7080626 0.83 OXTR (0.72) OXTRAVPR1ASMN1; SMN2ALDH1A1POLB

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 10 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
EP-1268418-B1 PHARMACEUTICALLY ACTIVE PYRROLIDINE DERIVATIVES AS BAX INHIBITORS APPLIED RESEARCH SYSTEMS (AN) 2006-06-14 EP 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-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 (2 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-20080167318-A1 Pharmaceutically active pyrrolidine derivatives OXTR, PRLHR, NR0B1 OXTR 1/4885AVPR1A 261/4885SMN1; SMN2 1945/4885
US-20030171309-A1 Pharmaceutically active pyrrolidine derivatives as bax inhibitors SUCNR1, PYCR1, GLS OXTR 189/4885AVPR1A 1456/4885SMN1; SMN2 459/4885

“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.