SCHEMBL7218802

SCHEMBL7218802

O=C(c1ccc2ccccc2c1)N1CCCC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.73
TSHR P16473 2/20 0.73
AKR1C1 Q04828 1/20 0.71
NPC1 O15118 2/20 0.69
LMNA P02545 2/20 0.69
RAB9A P51151 1/20 0.69
DPP4 P27487 1/20 0.64
DPP8 Q6V1X1 1/20 0.64
ALDH1A1 P00352 2/20 0.64
CA12 O43570 1/20 0.64
CA1 P00915 1/20 0.64
CA2 P00918 1/20 0.64
CA7 P43166 1/20 0.64
CA9 Q16790 1/20 0.64
USP2 O75604 1/20 0.64
GAA P10253 1/20 0.64
MAPT P10636 1/20 0.64
ALOX15 P16050 1/20 0.64
HTT P42858 1/20 0.64
NPSR1 Q6W5P4 1/20 0.64

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
SCHEMBL29941490 0.98 HPGD (0.71) HPGDTSHRAKR1C1NPC1LMNA
SCHEMBL10197843 0.98 HPGD (0.71) HPGDTSHRAKR1C1NPC1LMNA
SCHEMBL4310722 0.93 TSHR (0.84) HPGDTSHRAKR1C1NPC1LMNA
SCHEMBL22622336 0.93 L3MBTL3 (0.70) HPGDTSHRAKR1C1NPC1LMNA
SCHEMBL2614250 0.90 TSHR (0.71) HPGDTSHRAKR1C1NPC1LMNA
SCHEMBL1588162 0.86 TSHR (0.69) HPGDTSHRAKR1C1NPC1LMNA
SCHEMBL9193006 0.85 TSHR (0.72) HPGDTSHRAKR1C1NPC1LMNA
SCHEMBL20021992 0.85 TSHR (0.68) HPGDTSHRAKR1C1NPC1LMNA
SCHEMBL4548025 0.85 TSHR (1.00) HPGDTSHRAKR1C1NPC1LMNA
SCHEMBL31428791 0.85 TSHR (0.68) HPGDTSHRAKR1C1NPC1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180093960-A1 METHOD OF INHIBITING APOLIPOPROTEIN-E EXPRESSION WHILE INCREASING EXPRESSION OF AT LEAST ONE OF LDL-RECEPTOR PROTEIN OR ABCA1 PROTEIN COMPRISING ADMINISTERING A SMALL COMPOUND MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH 2018-04-05 US disclosed
US-20180093960-A1 METHOD OF INHIBITING APOLIPOPROTEIN-E EXPRESSION WHILE INCREASING EXPRESSION OF AT LEAST ONE OF LDL-RECEPTOR PROTEIN OR ABCA1 PROTEIN COMPRISING ADMINISTERING A SMALL COMPOUND MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH 2018-04-05 US disclosed
US-6531612-B2 Pyrrolidine-2-carboxylic acid cyano-methyl amide derivatives useful for treating diseases associated with cystein proteases, such as osteoporosis, osteoarthritis, rheumatoid arthritis, tumor metastasis, glomerulonephritis HOFFMAN-LA ROCHE INC. 2003-03-11 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-20180093960-A1 METHOD OF INHIBITING APOLIPOPROTEIN-E EXPRESSION WHILE INCREASING EXPRESSION OF AT LEAST ONE OF LDL-RECEPTOR PROTEIN OR ABCA1 PROTEIN COMPRISING ADMINISTERING A SMALL COMPOUND LDLR, APOB, NR1H2 HPGD 2056/4885TSHR 1808/4885AKR1C1 1097/4885

“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.