SCHEMBL770274

SCHEMBL770274

O=C(NCCCNC(=O)N1CCC2CCCCC2C1)NCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 3/20 0.52
NFE2L2 Q16236 3/20 0.52
HRH3 Q9Y5N1 1/20 0.50
NPSR1 Q6W5P4 2/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
EPHX2 P34913 1/20 0.49
EPHX1 P07099 2/20 0.46
HPGD P15428 1/20 0.46
CCR3 P51677 1/20 0.46
FKBP1A P62942 1/20 0.45
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45

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
SCHEMBL770354 0.89 HRH3 (0.48) KEAP1NFE2L2HRH3NPSR1KMT2A
SCHEMBL770384 0.88 HRH3 (0.52) HRH3NPSR1KMT2AMEN1FKBP1A
SCHEMBL770386 0.88 HRH3 (0.54) HRH3NPSR1KMT2AMEN1HDAC3
SCHEMBL771000 0.86 CCR3 (0.49) NPSR1KMT2AMEN1EPHX1CCR3
SCHEMBL770378 0.83 EPHX2 (0.56) NPSR1KMT2AMEN1EPHX2
SCHEMBL770992 0.83 PPID (0.51) HRH3NPSR1KMT2AMEN1EPHX1
SCHEMBL770438 0.83 NAMPT (0.62) EPHX2EPHX1HPGDFKBP1A
SCHEMBL770423 0.81 FKBP1A (0.55) KEAP1NFE2L2HRH3EPHX2EPHX1
SCHEMBL770878 0.81 NAMPT (0.52) KMT2AMEN1EPHX2HDAC3HDAC4
SCHEMBL770746 0.81 NAMPT (0.57) EPHX2EPHX1FKBP1A

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-20130303522-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 LABORATORIOS SALVAT, S.A. (ES) 2013-11-14 US disclosed
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 LABORATORIOS SALVAT, S.A. (ES) 2012-03-22 US disclosed
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 LABORATORIOS SALVAT, S.A. (ES) 2012-03-22 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 (2 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-20130303522-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 KEAP1 431/4885NFE2L2 1015/4885HRH3 1687/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 KEAP1 441/4885NFE2L2 1047/4885HRH3 1698/4885

“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.