SCHEMBL770879

SCHEMBL770879

O=C(NCCC(=O)N1CCCC2CCCCC21)C1CCC(F)(F)CC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.39
DRD4 P21917 5/20 0.39
HTR1A P08908 4/20 0.39
KCNH2 Q12809 4/20 0.39
CNR2 P34972 1/20 0.39
DPP4 P27487 4/20 0.38
PREP P48147 2/20 0.38
FAP Q12884 2/20 0.38
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ITGB3 P05106 3/20 0.35
ITGA2B P08514 3/20 0.35
HSD11B1 P28845 2/20 0.35
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KMT2A Q03164 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33

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
SCHEMBL772214 0.89 DPP4 (0.47) DRD2DRD4DPP4PREPFAP
SCHEMBL771374 0.87 DPP4 (0.48) DRD2DRD4DPP4PREPFAP
SCHEMBL770588 0.80 NAAA (0.47) DRD2DPP4PREPFAPSMN1; SMN2
SCHEMBL769965 0.78 NPC1 (0.50) DRD2DRD4CNR2DPP4NPC1
SCHEMBL771679 0.78 NPC1 (0.47) DRD2DRD4DPP4NPC1RAB9A
SCHEMBL770027 0.75 DRD2 (0.39) DRD2DRD4DPP4PREPFAP
SCHEMBL771394 0.75 HSD11B1 (0.42) DRD2DRD4DPP4NPC1RAB9A
SCHEMBL771464 0.74 DRD2 (0.51) DRD2DRD4PREPFAPNPC1
SCHEMBL770672 0.74 DRD2 (0.40) DRD2DRD4DPP4NPC1RAB9A
SCHEMBL770636 0.73 EPHX2 (0.51) NPC1RAB9ASMN1; SMN2

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 DRD2 1422/4885DRD4 1484/4885HTR1A 557/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 DRD2 1418/4885DRD4 1487/4885HTR1A 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.