Sugi Predict

Sugi Predict / Compounds / SCHEMBL4941472

SCHEMBL4941472

SCHEMBL4941472

C=CCO/N=C1\C[C@@H](C(=O)NCCOC)N(C(=O)c2ccc(C#N)cc2)C1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ OXTR P30559 3/20 0.43
▸ AVPR1A P37288 2/20 0.40
▸ TRPA1 O75762 1/20 0.36
▸ FASN P49327 4/20 0.36
▸ EGLN2 Q96KS0 1/20 0.35
▸ EGLN1 Q9GZT9 1/20 0.34
▸ DRD3 P35462 2/20 0.34
▸ DPP4 P27487 3/20 0.33
▸ MMP1 P03956 2/20 0.33
▸ MMP3 P08254 2/20 0.33
▸ MMP7 P09237 2/20 0.33
▸ MMP2 P08253 1/20 0.33
▸ PTGER4 P35408 1/20 0.32
▸ TMEM97 Q5BJF2 1/20 0.32
▸ MMP13 P45452 1/20 0.32
▸ LMNA P02545 1/20 0.32

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
SCHEMBL4941478 1.00 OXTR (0.43) OXTRAVPR1ATRPA1FASNEGLN2
SCHEMBL4943389 0.79 MMP1 (0.38) OXTRAVPR1ADPP4MMP1LMNA
SCHEMBL5736025 0.79 MMP1 (0.38) OXTRAVPR1ADPP4MMP1LMNA
SCHEMBL5736023 0.79 MMP1 (0.38) OXTRAVPR1ADPP4MMP1LMNA
SCHEMBL4943396 0.79 MMP1 (0.38) OXTRAVPR1ADPP4MMP1LMNA
SCHEMBL4936877 0.77 OXTR (0.51) OXTRAVPR1AMMP1MMP3MMP7
SCHEMBL4944078 0.76 RORC (0.50) LMNA
SCHEMBL4944080 0.76 RORC (0.50) LMNA
SCHEMBL4943696 0.75 OXTR (0.72) OXTRAVPR1AMMP1MMP3MMP7
SCHEMBL4944083 0.69 ALDH1A1 (0.43) OXTRAVPR1AMMP1MMP3MMP7

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 7 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-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 203/4885TRPA1 497/4885
US-20080167318-A1 Pharmaceutically active pyrrolidine derivatives OXTR, PRLHR, NR0B1 OXTR 1/4885AVPR1A 261/4885TRPA1 534/4885
US-20030171309-A1 Pharmaceutically active pyrrolidine derivatives as bax inhibitors SUCNR1, PYCR1, GLS OXTR 189/4885AVPR1A 1456/4885TRPA1 4179/4885

“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.