SCHEMBL3088484

SCHEMBL3088484

O=C(O)N1CCN(Cc2ccccc2O)CC1

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MPO P05164 2/20 0.73
FAAH O00519 5/20 0.69
KDM4E B2RXH2 7/20 0.56
ALDH1A1 P00352 5/20 0.53
LMNA P02545 3/20 0.52
BACE1 P56817 1/20 0.51
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
HTT P42858 1/20 0.48
AKR1B1 P15121 1/20 0.47
ALOX15 P16050 1/20 0.47

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
SCHEMBL3967782 0.86 MPO (1.00) MPOFAAHKDM4EALDH1A1LMNA
SCHEMBL21043991 0.83 MPO (0.73) MPOFAAHKDM4EALDH1A1LMNA
SCHEMBL14939397 0.83 ALDH1A1 (0.54) MPOFAAHKDM4EALDH1A1LMNA
SCHEMBL3599605 0.82 FAAH (1.00) FAAHKDM4E
SCHEMBL2931693 0.82 FAAH (0.70) FAAHKDM4EALDH1A1LMNAMEN1
SCHEMBL3098473 0.82 ALDH1A1 (0.70) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL21658466 0.81 MPO (0.81) MPOFAAHKDM4EALDH1A1LMNA
SCHEMBL23293594 0.81 HTR7 (0.63) FAAHKDM4EALDH1A1LMNAMEN1
SCHEMBL16731676 0.81 MPO (0.69) MPOFAAHKDM4EALDH1A1LMNA
SCHEMBL9388542 0.80 MPO (0.88) MPOFAAHKDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3814347-B1 NAPHTHYRIDINONE COMPOUNDS USEFUL AS T CELL ACTIVATORS BRISTOL MYERS SQUIBB CO (US) 2023-05-03 EP disclosed
EP-3814347-A1 NAPHTHYRIDINONE COMPOUNDS USEFUL AS T CELL ACTIVATORS Bristol-Myers Squibb Company (US) 2021-05-05 EP disclosed
CN-102482232-A Novel pyrimidine and triazine hepcidin antagonists VIFOR INT AG 2012-05-30 CN disclosed
US-20100234377-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2010-09-16 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-20100234377-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE HPGDS, PTGDR, PTGIS MPO 1182/4885FAAH 24/4885KDM4E 3580/4885

“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.