SCHEMBL31539989

SCHEMBL31539989

O=C(O)CNCCc1ccccc1Oc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.53
FFAR1 O14842 2/20 0.52
FFAR4 Q5NUL3 4/20 0.50
RIPK1 Q13546 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
MAPK8 P45983 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4C Q9H3R0 1/20 0.42
CAMK2A Q9UQM7 1/20 0.42
ADRA2C P18825 1/20 0.42
PPARA Q07869 1/20 0.42
LTA4H P09960 1/20 0.42
CTNNB1 P35222 1/20 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
SCHEMBL15637306 0.83 MTNR1A (0.63) MTNR1AMTNR1BALDH1A1KDM4ETAAR1
SCHEMBL3503975 0.82 FFAR1 (0.67) HRH1FFAR1FFAR4RIPK1SLC6A2
SCHEMBL5105916 0.80 HRH1 (0.51) HRH1FFAR1FFAR4RIPK1SLC6A2
SCHEMBL8496411 0.80 HRH1 (0.57) HRH1RIPK1SLC6A2SLC6A4LTA4H
SCHEMBL3809518 0.78 FFAR1 (0.58) HRH1FFAR1FFAR4RIPK1SLC6A2
SCHEMBL8493643 0.77 RECQL (0.55) HRH1MTNR1AMTNR1BTAAR1
SCHEMBL17040296 0.77 CYP2D6 (0.52) HRH1RIPK1SLC6A2SLC6A4MTNR1A
SCHEMBL24018828 0.76 HRH1 (0.61) HRH1RIPK1SLC6A2SLC6A4TAAR1
SCHEMBL2595163 0.76 MPO (0.62) SLC6A4KDM4ETAAR1
SCHEMBL8495825 0.76 HRH1 (0.61) HRH1FFAR1FFAR4RIPK1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12281180-B2 Peptoid-peptide macrocycles, pharmaceutical compositions and methods of using the same NEW YORK UNIVERSITY (US) 2025-04-22 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-12281180-B2 Peptoid-peptide macrocycles, pharmaceutical compositions and methods of using the same WNT1, WNT3, WNT3A HRH1 2672/4885FFAR1 4283/4885FFAR4 3588/4885

“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.