SCHEMBL4940128

SCHEMBL4940128

O=C(NCC(O)c1ccccc1)[C@@H]1CC(=CCl)CN1C(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OXTR P30559 2/20 0.67
AVPR1A P37288 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
LMNA P02545 3/20 0.38
PKM P14618 1/20 0.38
BCAT2 O15382 1/20 0.38
ADRB3 P13945 2/20 0.37
ADRB1 P08588 1/20 0.37
POLB P06746 1/20 0.37
CFD P00746 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HTR1A P08908 1/20 0.36
HTR1B P28222 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
PRMT5 O14744 1/20 0.36
KMT2A Q03164 1/20 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
SCHEMBL4940121 1.00 OXTR (0.67) OXTRAVPR1ASMN1; SMN2NPC1RAB9A
SCHEMBL4942988 0.86 OXTR (0.71) OXTRAVPR1ASMN1; SMN2NPC1RAB9A
SCHEMBL5476358 0.85 OXTR (0.70) OXTRAVPR1ASMN1; SMN2NPC1RAB9A
SCHEMBL7089595 0.81 OXTR (0.78) OXTRAVPR1ASMN1; SMN2NPC1RAB9A
SCHEMBL4945279 0.80 OXTR (0.50) OXTRAVPR1ALMNAPKMPOLB
SCHEMBL5744299 0.80 OXTR (0.50) OXTRAVPR1ALMNAPKMPOLB
SCHEMBL4936262 0.80 OXTR (1.00) OXTRAVPR1ASMN1; SMN2NPC1RAB9A
SCHEMBL4945247 0.80 OXTR (1.00) OXTRAVPR1ASMN1; SMN2NPC1RAB9A
SCHEMBL4944776 0.80 OXTR (1.00) OXTRAVPR1ASMN1; SMN2NPC1RAB9A
SCHEMBL7079837 0.80 OXTR (0.77) OXTRAVPR1ASMN1; SMN2NPC1RAB9A

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
EP-1268418-B1 PHARMACEUTICALLY ACTIVE PYRROLIDINE DERIVATIVES AS BAX INHIBITORS APPLIED RESEARCH SYSTEMS (AN) 2006-06-14 EP claimed
US-7018988-B2 Pharmaceutically active pyrrolidine derivatives as Bax inhibitors APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2006-03-28 US claimed
US-20030212012-A1 Pharmaceutically active pyrrolidine derivatives MERCK SERONO SA (CH) 2003-11-13 US 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

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 203/4885SMN1; SMN2 1513/4885
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.