SCHEMBL5479506

SCHEMBL5479506

O=C(NC[C@@H](O)c1ccccc1)[C@@H]1C/C(=N\OCc2ccc(Cl)c(Cl)c2)CN1C(=O)COc1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OXTR P30559 2/20 0.47
AVPR1A P37288 1/20 0.44
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MMP1 P03956 1/20 0.37
MMP3 P08254 1/20 0.37
MMP7 P09237 1/20 0.37
MMP13 P45452 1/20 0.37
POLB P06746 3/20 0.36
PLA2G1B P04054 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36
PTPN1 P18031 1/20 0.35
S1PR1 P21453 1/20 0.35
HTR2A P28223 1/20 0.35
KCNH2 Q12809 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
S1PR5 Q9H228 1/20 0.35
ADRB3 P13945 7/20 0.35
ADRB1 P08588 4/20 0.35
ADRB2 P07550 1/20 0.35

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
SCHEMBL4941922 0.86 OXTR (0.54) OXTRAVPR1ATDP1MMP1MMP3
SCHEMBL4941926 0.86 OXTR (0.54) OXTRAVPR1ATDP1MMP1MMP3
SCHEMBL5474000 0.86 OXTR (0.54) OXTRAVPR1ATDP1MMP1MMP3
SCHEMBL4938817 0.86 TDP1 (0.43) TDP1L3MBTL1MMP1MMP3MMP7
SCHEMBL6094964 0.86 TDP1 (0.43) TDP1L3MBTL1MMP1MMP3MMP7
SCHEMBL6094967 0.76 L3MBTL1 (0.36) TDP1L3MBTL1MMP1MMP3MMP7
SCHEMBL5481861 0.75 OXTR (0.56) OXTRAVPR1ATDP1MMP1MMP3
SCHEMBL4943937 0.74 OXTR (0.38) OXTRAVPR1A
SCHEMBL4943935 0.74 OXTR (0.38) OXTRAVPR1A
SCHEMBL4942156 0.73 SIGMAR1 (0.39) OXTRSIGMAR1MEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7211601-B2 Pharmaceutically active pyrrolidine derivatives APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2007-05-01 US claimed
US-20030212012-A1 Pharmaceutically active pyrrolidine derivatives MERCK SERONO SA (CH) 2003-11-13 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 203/4885TDP1 4332/4885

“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.