SCHEMBL771034

SCHEMBL771034

O=C(NCCC(=O)N1CCCC2CCCCC21)c1cnc2ccccc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PREP P48147 1/20 0.59
METTL3 Q86U44 1/20 0.48
PLD1 Q13393 4/20 0.47
PLD2 O14939 3/20 0.47
CHRNB2 P17787 1/20 0.47
CHRNA7 P36544 1/20 0.47
CHRNA4 P43681 1/20 0.47
DRD2 P14416 4/20 0.47
DRD3 P35462 4/20 0.47
HTR1A P08908 2/20 0.47
HTR2A P28223 2/20 0.47
HTR2C P28335 2/20 0.47
CXCR4 P61073 1/20 0.46
HPGDS O60760 1/20 0.45
HDAC3 O15379 2/20 0.45
HDAC1 Q13547 2/20 0.45
KDM2B Q8NHM5 1/20 0.45
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
HDAC2 Q92769 1/20 0.44

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
SCHEMBL770599 0.82 DRD3 (0.48) CHRNB2CHRNA7CHRNA4DRD2DRD3
SCHEMBL770799 0.82 DPP4 (0.60) PREP
SCHEMBL769774 0.81 SLC6A4 (0.51) DRD3HTR1AHTR2AHTR2C
SCHEMBL770007 0.77 PREP (0.60) PREP
SCHEMBL770966 0.77 RAB9A (0.51) PREPCHRNB2CHRNA7CHRNA4DRD2
SCHEMBL770258 0.76 PREP (0.57) PREPCNR1CNR2
SCHEMBL770920 0.76 RAB9A (0.54) DRD2DRD3HTR1AHTR2AHTR2C
SCHEMBL772292 0.76 DPP4 (0.70) PREP
SCHEMBL21101281 0.75 PREP (0.71) PREPMETTL3PLD1PLD2CHRNB2
SCHEMBL770850 0.75 HDAC1 (0.51) CHRNA7DRD2DRD3HTR1AHTR2A

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 PREP 900/4885METTL3 4857/4885PLD1 1020/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 PREP 907/4885METTL3 4861/4885PLD1 1018/4885

“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.