SCHEMBL770850

SCHEMBL770850

Cn1c(C(=O)NCCC(=O)N2CCCC3CCCCC32)cc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.51
HDAC2 Q92769 1/20 0.51
CHRNA7 P36544 1/20 0.46
HDAC3 O15379 1/20 0.46
HTR1A P08908 1/20 0.44
DRD2 P14416 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
DRD3 P35462 1/20 0.44
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HSD17B10 Q99714 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
MCL1 Q07820 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CNR2 P34972 1/20 0.40

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
SCHEMBL5947101 0.81 MCL1 (0.51) CHRNA7DRD2DRD3MAPTMCL1
SCHEMBL5946806 0.81 MCL1 (0.51) CHRNA7DRD2DRD3MAPTMCL1
SCHEMBL770599 0.79 DRD3 (0.48) HDAC1HDAC2CHRNA7HDAC3HTR1A
SCHEMBL770799 0.78 DPP4 (0.60) KMT2AKDM4EALDH1A1NPC1RAB9A
SCHEMBL770258 0.77 PREP (0.57) NPC1RAB9ASMN1; SMN2CNR2POLB
SCHEMBL770920 0.77 RAB9A (0.54) HDAC1HDAC2HDAC3HTR1ADRD2
SCHEMBL769774 0.76 SLC6A4 (0.51) HTR1AHTR2AHTR2CDRD3MEN1
SCHEMBL30174163 0.75 HDAC1 (0.66) HDAC1HDAC2HDAC3HTR1ADRD2
SCHEMBL30174165 0.75 HDAC1 (0.66) HDAC1HDAC2HDAC3HTR1ADRD2
SCHEMBL3551679 0.75 HDAC1 (0.66) HDAC1HDAC2HDAC3HTR1ADRD2

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 HDAC1 301/4885HDAC2 970/4885CHRNA7 2123/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 HDAC1 304/4885HDAC2 978/4885CHRNA7 2107/4885

“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.