SCHEMBL16035772

SCHEMBL16035772

[O]CCN(S)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
NPSR1 Q6W5P4 2/20 0.37
ALOX15 P16050 1/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTT P42858 4/20 0.36
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
GLA P06280 1/20 0.35
TSHR P16473 1/20 0.35
TP53 P04637 1/20 0.35
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
HSP90AA1 P07900 2/20 0.32
ADRA2C P18825 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
SCHEMBL8954883 0.77 IDO1 (0.38) ALDH1A1NPSR1ALOX15KMT2AMEN1
SCHEMBL28529079 0.77 MTNR1A (0.48) ALDH1A1NPSR1ALOX15KMT2AMEN1
SCHEMBL28348633 0.75 KDM4E (0.44) ALDH1A1NPSR1KMT2AMEN1CYP3A4
SCHEMBL12833638 0.75 TP53 (0.44) ALDH1A1NPC1RAB9AGLATSHR
SCHEMBL7060123 0.73 CA12 (0.48) ALDH1A1NPSR1KMT2AMEN1CYP3A4
SCHEMBL7495273 0.71 TDP1 (0.46) NPSR1KMT2AMEN1SMN1; SMN2HTT
SCHEMBL18460748 0.71 ALDH1A1 (0.38) ALDH1A1NPSR1ALOX15KMT2AMEN1
SCHEMBL7808021 0.70 ALOX15 (0.38) ALDH1A1NPSR1ALOX15KMT2AMEN1
SCHEMBL11704619 0.69 TSHR (0.48) ALDH1A1NPSR1KMT2AMEN1CYP3A4
SCHEMBL4160244 0.69 TSHR (0.59) ALDH1A1KMT2ACYP2C19SMN1; SMN2HTT

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-9656955-B2 Pyrrolidine derivatives, pharmaceutical compositions containing them, and their use in therapy ABBVIE INC. (US) 2017-05-23 US disclosed
US-20140275087-A1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY AbbVie Deutschland GmbH & Co. KG (DE) 2014-09-18 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 (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-20140275087-A1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY SLC6A7, GFPT1, SUGT1 ALDH1A1 1275/4885NPSR1 1759/4885ALOX15 2971/4885

“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.