SCHEMBL4944386

SCHEMBL4944386

CO/N=C1/C[C@@H](C(=O)NC[C@@H](O)c2ccccc2)N(C(=O)c2ccc(-c3ccccc3)cc2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OXTR P30559 5/20 1.00
AVPR1A P37288 3/20 0.84
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
MMP1 P03956 1/20 0.37
MMP3 P08254 1/20 0.37
MMP7 P09237 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ROCK2 O75116 2/20 0.37
ROCK1 Q13464 2/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
PABPC1 P11940 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36

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
SCHEMBL4944776 1.00 OXTR (1.00) OXTRAVPR1ALMNAPKMSMN1; SMN2
SCHEMBL4945256 1.00 OXTR (1.00) OXTRAVPR1ALMNAPKMSMN1; SMN2
SCHEMBL4936262 1.00 OXTR (1.00) OXTRAVPR1ALMNAPKMSMN1; SMN2
SCHEMBL4945247 1.00 OXTR (1.00) OXTRAVPR1ALMNAPKMSMN1; SMN2
SCHEMBL4936835 1.00 OXTR (1.00) OXTRAVPR1ALMNAPKMSMN1; SMN2
SCHEMBL7087086 0.95 OXTR (0.90) OXTRAVPR1ALMNAPKMSMN1; SMN2
SCHEMBL4943085 0.94 OXTR (0.88) OXTRAVPR1ALMNAPKMMMP1
SCHEMBL4942134 0.94 OXTR (0.88) OXTRAVPR1ALMNAPKMMMP1
SCHEMBL4943082 0.94 OXTR (0.88) OXTRAVPR1ALMNAPKMMMP1
SCHEMBL4942130 0.94 OXTR (0.88) OXTRAVPR1ALMNAPKMMMP1

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