SCHEMBL5038433

SCHEMBL5038433

O=C(Cl)c1ccc(-c2ccccc2F)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.62
MAPT P10636 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
NPSR1 Q6W5P4 1/20 0.57
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
PKM P14618 1/20 0.50
ALOX15 P16050 1/20 0.48
ACMSD Q8TDX5 1/20 0.47
PTPRC P08575 1/20 0.44
PTPN1 P18031 1/20 0.44
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
TTR P02766 1/20 0.43
PAX8 Q06710 1/20 0.42
DHODH Q02127 2/20 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
SCHEMBL30876050 0.86 ALDH1A1 (0.43) ALDH1A1MAPTL3MBTL1NPSR1NPC1
SCHEMBL21246924 0.84 MAPT (0.66) ALDH1A1MAPTL3MBTL1NPSR1NPC1
SCHEMBL412227 0.82 ALDH1A1 (0.64) ALDH1A1MAPTL3MBTL1NPSR1NPC1
SCHEMBL11175255 0.82 ALDH1A1 (0.64) ALDH1A1MAPTL3MBTL1NPSR1NPC1
SCHEMBL11312992 0.81 ALDH1A1 (0.53) ALDH1A1MAPTL3MBTL1NPSR1NPC1
SCHEMBL6191307 0.81 MAPT (0.62) ALDH1A1MAPTL3MBTL1NPSR1NPC1
SCHEMBL30958374 0.81 MAPT (0.67) ALDH1A1MAPTL3MBTL1NPSR1NPC1
SCHEMBL607022 0.81 MAPT (0.67) ALDH1A1MAPTL3MBTL1NPSR1NPC1
Hydrochloric Acid SCHEMBL30684981 0.79 MAPT (0.65) ALDH1A1MAPTL3MBTL1NPSR1NPC1
SCHEMBL29697585 0.78 BCAT2 (0.47) ALDH1A1MAPTL3MBTL1ALOX15HDAC6

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
EP-1390347-B1 PYRROLIDINE ESTER DERIVATIVES WITH OXYTOCIN MODULATING ACTIVITY SERONO LAB (CH) 2008-05-07 EP disclosed
EP-1829861-A2 Pyrrolidine ester derivatives active as oxytocin antagonists Applied Research Systems ARS Holding N.V. (AN) 2007-09-05 EP disclosed
US-20070129381-A1 PHARMACEUTICALLY ACTIVE PYRROLIDINE ESTER DERIVATIVES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2007-06-07 US disclosed
US-7189754-B2 Pyrrolidine ester derivatives with oxytocin modulating activity APPLIED RESEARCH SYSTEMS ARS HOLDING NV (AN) 2007-03-13 US disclosed
US-20040147511-A1 Pyrrolidine ester derivatives with oxytocin modulating activity MERCK SERONO SA (CH) 2004-07-29 US disclosed
EP-1390347-A1 PYRROLIDINE ESTER DERIVATIVES WITH OXYTOCIN MODULATING ACTIVITY Applied Research Systems ARS Holding N.V. (AN) 2004-02-25 EP disclosed
WO-2002074741-A1 PYRROLIDINE ESTER DERIVATIVES WITH OXYTOCIN MODULATING ACITVITY APPLIED RESEARCH SYSTEMS ARS HOLDING NV (AN) 2002-09-26 WO 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-20070129381-A1 PHARMACEUTICALLY ACTIVE PYRROLIDINE ESTER DERIVATIVES OXTR, GPR6, CNR1 ALDH1A1 1764/4885MAPT 4830/4885L3MBTL1 4393/4885
US-20040147511-A1 Pyrrolidine ester derivatives with oxytocin modulating activity OXTR, OPRL1, OPRD1 ALDH1A1 1319/4885MAPT 4833/4885L3MBTL1 4071/4885

“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.