SCHEMBL4943230

SCHEMBL4943230

CCn1c2ccccc2c2cc(NC(=O)[C@@H]3CC(=NOC)CN3C(=O)c3ccc(Oc4ccccc4)cc3)ccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OXTR P30559 2/20 0.49
MAPT P10636 9/20 0.49
KDM4E B2RXH2 7/20 0.49
HPGD P15428 6/20 0.49
ALDH1A1 P00352 5/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
LMNA P02545 4/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
HCRTR1 O43613 2/20 0.49
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
CFTR P13569 7/20 0.48
PAX8 Q06710 1/20 0.48
GAA P10253 1/20 0.47
AVPR1A P37288 1/20 0.46
NPSR1 Q6W5P4 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46

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
SCHEMBL7090825 1.00 OXTR (0.49) OXTRMAPTKDM4EHPGDALDH1A1
SCHEMBL4943220 1.00 OXTR (0.49) OXTRMAPTKDM4EHPGDALDH1A1
SCHEMBL4942116 0.93 CFTR (0.49) MAPTKDM4EHPGDALDH1A1SMN1; SMN2
SCHEMBL4942109 0.93 CFTR (0.49) MAPTKDM4EHPGDALDH1A1SMN1; SMN2
SCHEMBL4938506 0.92 OXTR (0.59) OXTRMAPTKDM4EHPGDALDH1A1
SCHEMBL4943716 0.90 MAPT (0.45) MAPTKDM4EHPGDALDH1A1SMN1; SMN2
SCHEMBL4943723 0.90 MAPT (0.45) MAPTKDM4EHPGDALDH1A1SMN1; SMN2
SCHEMBL4943842 0.89 RORC (0.54) OXTRMAPTKDM4EHPGDALDH1A1
SCHEMBL4943848 0.89 RORC (0.54) OXTRMAPTKDM4EHPGDALDH1A1
SCHEMBL4943417 0.86 NPSR1 (0.49) MAPTKDM4EHPGDALDH1A1SMN1; SMN2

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 6 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 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 1/4885MAPT 4816/4885KDM4E 2451/4885
US-20030171309-A1 Pharmaceutically active pyrrolidine derivatives as bax inhibitors SUCNR1, PYCR1, GLS OXTR 189/4885MAPT 2519/4885KDM4E 1468/4885

“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.