SCHEMBL771270

SCHEMBL771270

CCCS(=O)(=O)NCCC(=O)N1CCCC2CCCCC21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.46
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KMT2A Q03164 2/20 0.36
CNR2 P34972 1/20 0.35
HCRTR2 O43614 1/20 0.35
DPP4 P27487 2/20 0.34
PREP P48147 1/20 0.34
FAP Q12884 1/20 0.34
MEN1 O00255 1/20 0.34
ALOX15 P16050 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34

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
SCHEMBL770832 0.80 RAB9A (0.49) HSD11B1DRD2DRD4NPC1RAB9A
SCHEMBL14229122 0.79 DRD2 (0.47) HSD11B1DRD2DRD4NPC1RAB9A
SCHEMBL771394 0.79 HSD11B1 (0.42) HSD11B1DRD2DRD4NPC1RAB9A
SCHEMBL770672 0.78 DRD2 (0.40) HSD11B1DRD2DRD4NPC1RAB9A
SCHEMBL17690765 0.77 MEN1 (0.49) DRD2DRD4NPC1RAB9ASMN1; SMN2
SCHEMBL770987 0.76 NPSR1 (0.44) DPP4
SCHEMBL771464 0.76 DRD2 (0.51) HSD11B1DRD2DRD4NPC1RAB9A
SCHEMBL10138123 0.76 RAB9A (0.50) HSD11B1NPC1RAB9ASMN1; SMN2DPP4
SCHEMBL20910647 0.75 DRD2 (0.42) DRD2DRD4NPC1RAB9ASMN1; SMN2
SCHEMBL769965 0.74 NPC1 (0.50) HSD11B1DRD2DRD4NPC1RAB9A

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 HSD11B1 1/4885DRD2 1422/4885DRD4 1484/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 HSD11B1 1/4885DRD2 1418/4885DRD4 1487/4885

“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.