SCHEMBL6684881

SCHEMBL6684881

[CH]1CC1c1cccc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.53
SLC6A4 P31645 6/20 0.44
MTNR1A P48039 2/20 0.44
IDO1 P14902 1/20 0.44
SLC6A2 P23975 2/20 0.43
SLC6A3 Q01959 2/20 0.43
ALDH1A1 P00352 4/20 0.42
CYP2A6 P11509 2/20 0.42
TSHR P16473 2/20 0.42
HSD17B10 Q99714 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
MTNR1B P49286 1/20 0.41
DRD2 P14416 1/20 0.41
HPGD P15428 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TDP2 O95551 1/20 0.40
MAPT P10636 1/20 0.40
ALOX12 P18054 1/20 0.40
MAPK1 P28482 1/20 0.40
CASP3 P42574 1/20 0.40

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
SCHEMBL1008916 0.78 KDM1A (0.46) KDM1ASLC6A4MTNR1AIDO1SLC6A2
SCHEMBL6762351 0.77 KDM1A (0.49) KDM1ASLC6A4MTNR1AIDO1SLC6A2
SCHEMBL7650798 0.77 KDM1A (0.44) KDM1ASLC6A4MTNR1AIDO1SLC6A2
SCHEMBL10420727 0.75 MTNR1A (0.44) KDM1ASLC6A4MTNR1AIDO1SLC6A2
SCHEMBL30477104 0.74 SLC6A4 (0.59) KDM1ASLC6A4MTNR1AIDO1SLC6A2
SCHEMBL248440 0.74 SLC6A4 (0.59) KDM1ASLC6A4MTNR1AIDO1SLC6A2
SCHEMBL15670566 0.74 KDM1A (0.50) KDM1ASLC6A4MTNR1AIDO1SLC6A2
SCHEMBL5408925 0.74 KDM1A (0.46) KDM1ASLC6A4MTNR1AIDO1SLC6A2
SCHEMBL16398286 0.74 KDM1A (0.46) KDM1ASLC6A4MTNR1AIDO1SLC6A2
SCHEMBL3968194 0.71 SLC6A4 (0.56) KDM1ASLC6A4MTNR1AIDO1SLC6A2

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0914333-B1 PEPTIDE DERIVATIVES ASTRAZENECA AB (SE) 2004-11-24 EP disclosed
EP-0932618-B1 PEPTIDE ANALOGUES CONTAINING A 7-MEMBERED LACTAM RING ASTRAZENECA AB (SE) 2003-12-10 EP disclosed
CN-1130372-C Peptide derivatives ZENECA LTD (GB) 2003-12-10 CN disclosed
US-20030195158-A1 Peptide derivatives SYNGENTA LIMITED (GB) 2003-10-16 US disclosed
EP-0946589-B1 INHIBITORS OF PEPTIDE BINDING TO MHC CLASS II PROTEINS ASTRAZENECA AB (SE) 2003-10-01 EP disclosed
CN-1116305-C Peptide derivatives ZENECA LTD (GB) 2003-07-30 CN disclosed
US-6541453-B2 Amino acid sequences for use in the treatment of autoimmune or inflammatory diseases SYNGENTA LIMITED (GB) 2003-04-01 US disclosed
US-20020187934-A1 Peptide derivatives SYNGENTA LIMITED (GB) 2002-12-12 US disclosed
US-20020103335-A1 PEPTIDE DERIVATIVES ASTRAZENECA UK LIMITED (GB) 2002-08-01 US disclosed
US-6355617-B1 PEPTIDES, HYDROPHOBIC RESIDUES, AMINO ACIDS AND SEQUENCE SYNGENTA LIMITED (GB) 2002-03-12 US disclosed
EP-0932618-A1 PEPTIDE ANALOGUES CONTAINING A 7-MEMBERED LACTAM RING AstraZeneca AB (SE) 1999-08-04 EP disclosed
CN-1221424-A Peptide derivatives ZENECA LTD (GB) 1999-06-30 CN disclosed
EP-0914333-A1 PEPTIDE DERIVATIVES ZENECA LIMITED (GB) 1999-05-12 EP disclosed
CN-1213379-A Peptide derivatives ZENECA LTD (GB) 1999-04-07 CN disclosed
EP-0882066-A1 PEPTIDE DERIVATIVES ZENECA LIMITED (GB) 1998-12-09 EP disclosed
WO-1998025951-A1 INHIBITORS OF PEPTIDE BINDING TO MHC CLASS II PROTEINS ZENECA LIMITED (GB) 1998-06-18 WO disclosed
WO-1998023644-A1 PEPTIDE DERIVATIVES ZENECA LIMITED (GB) 1998-06-04 WO disclosed
WO-1998017680-A1 PEPTIDE ANALOGUES CONTAINING A 7-MEMBERED LACTAM RING ZENECA LIMITED (GB) 1998-04-30 WO disclosed
WO-1997046578-A1 PEPTIDE DERIVATIVES ZENECA LIMITED (GB) 1997-12-11 WO disclosed
WO-1997031023-A1 PEPTIDE DERIVATIVES ZENECA LIMITED (GB) 1997-08-28 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 (3 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-20030195158-A1 Peptide derivatives HLA-DRB1, MICA, CD74 KDM1A 4626/4885SLC6A4 3340/4885MTNR1A 3980/4885
US-20020103335-A1 PEPTIDE DERIVATIVES HLA-DRB1, MICA, TAP1 KDM1A 3567/4885SLC6A4 2540/4885MTNR1A 840/4885
US-20020187934-A1 Peptide derivatives HLA-DRB1, MICA, TAP1 KDM1A 3667/4885SLC6A4 3729/4885MTNR1A 440/4885

“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.