SCHEMBL793980

SCHEMBL793980

CC1C(=O)N(CC(=O)N2CCCC3CCCCC32)C(=O)C1C

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.48
DRD4 P21917 1/20 0.48
ALDH1A1 P00352 2/20 0.40
RAB9A P51151 3/20 0.40
NPC1 O15118 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ATM Q13315 1/20 0.37
CNR2 P34972 1/20 0.37
HSD17B10 Q99714 1/20 0.36
HSD11B1 P28845 5/20 0.36
MAPK1 P28482 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
DPP7 Q9UHL4 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
SCHEMBL770862 0.87 DRD2 (0.49) DRD2DRD4ALDH1A1RAB9ANPC1
SCHEMBL15386653 0.81 DRD2 (0.41) DRD2DRD4ALDH1A1RAB9ANPC1
SCHEMBL771709 0.81 DRD2 (0.47) DRD2DRD4ALDH1A1RAB9ANPC1
SCHEMBL770503 0.76 HSD17B10 (0.56) DRD2DRD4ALDH1A1RAB9ANPC1
SCHEMBL793909 0.76 DRD2 (0.49) DRD2DRD4RAB9ANPC1SMN1; SMN2
SCHEMBL19416135 0.76 DRD2 (0.49) DRD2DRD4RAB9ANPC1SMN1; SMN2
SCHEMBL771483 0.76 NPC1 (0.53) DRD2DRD4RAB9ANPC1SMN1; SMN2
SCHEMBL771464 0.76 DRD2 (0.51) DRD2DRD4RAB9ANPC1SMN1; SMN2
SCHEMBL770486 0.74 DRD2 (0.52) DRD2DRD4ALDH1A1RAB9ANPC1
SCHEMBL17690745 0.73 POLB (0.50) DRD2DRD4RAB9ANPC1SMN1; 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-8822452-B2 Inhibitor compounds of 11-beta-hydroxysteroid dehydrogenase type 1 LABORATORIOS SALVAT, S.A. (ES) 2014-09-02 US disclosed
US-8524894-B2 Inhibitor compounds of 11-beta-hydroxysteroid dehydrogenase type 1 LABORATORIOS SALVAT, S.A. (ES) 2013-09-03 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 (1 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-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 DRD2 1418/4885DRD4 1487/4885ALDH1A1 142/4885

“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.