SCHEMBL770599

SCHEMBL770599

O=C(NCCC(=O)N1CCCC2CCCCC21)c1cc2ccccc2cn1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 13/20 0.48
HTR2A P28223 10/20 0.48
HTR1A P08908 8/20 0.48
USP30 Q70CQ3 1/20 0.48
HTR2C P28335 8/20 0.46
DRD2 P14416 4/20 0.46
CHRNA7 P36544 2/20 0.45
KCNH2 Q12809 2/20 0.45
HDAC3 O15379 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC2 Q92769 1/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNA4 P43681 1/20 0.42
HTR3A P46098 1/20 0.42

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
SCHEMBL769774 0.82 SLC6A4 (0.51) DRD3HTR2AHTR1AHTR2C
SCHEMBL771034 0.82 PREP (0.59) DRD3HTR2AHTR1AHTR2CDRD2
SCHEMBL770799 0.79 DPP4 (0.60)
SCHEMBL770850 0.79 HDAC1 (0.51) DRD3HTR2AHTR1AHTR2CDRD2
SCHEMBL770966 0.79 RAB9A (0.51) DRD3DRD2CHRNA7CHRNB2CHRNA4
SCHEMBL770258 0.78 PREP (0.57)
SCHEMBL770920 0.78 RAB9A (0.54) DRD3HTR2AHTR1AHTR2CDRD2
SCHEMBL769803 0.76 HSD11B1 (0.46) DRD3DRD2
SCHEMBL772132 0.75 PREP (0.60)
SCHEMBL770007 0.75 PREP (0.60)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2439202-B1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 SALVAT LAB SA (ES) 2016-04-20 EP disclosed
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 DRD3 1541/4885HTR2A 2333/4885HTR1A 557/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 DRD3 1546/4885HTR2A 2373/4885HTR1A 572/4885

“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.