Sugi Predict

Sugi Predict / Compounds / SCHEMBL4939477

SCHEMBL4939477

SCHEMBL4939477

C=CCON=C1C[C@@H](C(=O)Nc2ccc3c(c2)c2ccccc2n3CC)N(C(=O)c2ccc(-c3ccccc3)cc2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OXTR P30559 2/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.43
▸ MAPT P10636 11/20 0.42
▸ KDM4E B2RXH2 8/20 0.42
▸ MEN1 O00255 5/20 0.42
▸ KMT2A Q03164 5/20 0.42
▸ POLB P06746 2/20 0.42
▸ RECQL P46063 1/20 0.42
▸ HPGD P15428 5/20 0.42
▸ LMNA P02545 5/20 0.42
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ ALDH1A1 P00352 5/20 0.42
▸ HCRTR1 O43613 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ PAX8 Q06710 1/20 0.42
▸ GAA P10253 1/20 0.41
▸ NPY5R Q15761 3/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ AVPR1A P37288 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
SCHEMBL4943009 0.95 NPSR1 (0.46) NPSR1MAPTKDM4EMEN1KMT2A
SCHEMBL4943005 0.95 NPSR1 (0.46) NPSR1MAPTKDM4EMEN1KMT2A
SCHEMBL4936310 0.93 OXTR (0.50) OXTRNPSR1MAPTKDM4EMEN1
SCHEMBL4943716 0.93 MAPT (0.45) NPSR1MAPTKDM4EMEN1KMT2A
SCHEMBL4943723 0.93 MAPT (0.45) NPSR1MAPTKDM4EMEN1KMT2A
SCHEMBL4944080 0.91 RORC (0.50) NPSR1MAPTKDM4EMEN1KMT2A
SCHEMBL4944078 0.91 RORC (0.50) NPSR1MAPTKDM4EMEN1KMT2A
SCHEMBL4938506 0.89 OXTR (0.59) OXTRNPSR1MAPTKDM4EMEN1
SCHEMBL4943415 0.88 NPSR1 (0.49) NPSR1MAPTKDM4EMEN1KMT2A
SCHEMBL4943417 0.88 NPSR1 (0.49) NPSR1MAPTKDM4EMEN1KMT2A

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-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 1/4885NPSR1 27/4885MAPT 4844/4885
US-20080167318-A1 Pharmaceutically active pyrrolidine derivatives OXTR, PRLHR, NR0B1 OXTR 1/4885NPSR1 22/4885MAPT 4816/4885
US-20030171309-A1 Pharmaceutically active pyrrolidine derivatives as bax inhibitors SUCNR1, PYCR1, GLS OXTR 189/4885NPSR1 104/4885MAPT 2519/4885

“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.