SCHEMBL20021997

SCHEMBL20021997

CCCCN(CCCC)Cc1ccc2ccccc2c1

nearest known ligand 0.83

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.83
SLC6A2 P23975 1/20 0.54
SLC6A4 P31645 1/20 0.54
SLC6A3 Q01959 1/20 0.54
MAPT P10636 1/20 0.54
CYP1A2 P05177 1/20 0.53
CYP2A6 P11509 1/20 0.53
HDAC3 O15379 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
SIGMAR1 Q99720 1/20 0.51
DRD2 P14416 2/20 0.50
DRD3 P35462 2/20 0.50

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
SCHEMBL16256948 0.93 BCHE (0.74) BCHESLC6A2SLC6A4SLC6A3CYP1A2
SCHEMBL29286762 0.91 BCHE (1.00) BCHESLC6A2SLC6A4SLC6A3SIGMAR1
SCHEMBL14149518 0.85 SIGMAR1 (0.63) BCHESLC6A2SLC6A4SLC6A3CYP1A2
SCHEMBL29286772 0.85 BCHE (1.00) BCHESLC6A2SLC6A4SLC6A3SIGMAR1
SCHEMBL20022001 0.82 CYP1A2 (0.61) BCHESLC6A2SLC6A4SLC6A3CYP1A2
SCHEMBL15701722 0.81 BCHE (0.58) BCHESLC6A2SLC6A4SLC6A3CYP1A2
SCHEMBL6568551 0.80 BCHE (0.56) BCHESLC6A2SLC6A4SLC6A3CYP1A2
SCHEMBL6566946 0.79 BCHE (0.55) BCHECYP1A2CYP2A6HDAC3HDAC1
SCHEMBL11932503 0.79 BCHE (0.64) BCHESLC6A2SLC6A4SLC6A3CYP1A2
SCHEMBL329300 0.77 MAPT (0.66) BCHESLC6A2SLC6A4SLC6A3MAPT

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-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

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 BCHE 2225/4885SLC6A2 1650/4885SLC6A4 2911/4885

“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.