SCHEMBL770304

SCHEMBL770304

O=C(NCCC(=O)N1CCCC2CCCCC21)N1CCC2CCCCC2C1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HSD11B1 P28845 8/20 0.40
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
LMNA P02545 1/20 0.37
PRMT5 O14744 3/20 0.36
WDR77 Q9BQA1 3/20 0.36
DPP4 P27487 2/20 0.35
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
F2R P25116 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
HSD17B1 P14061 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
SCHEMBL770563 0.93 NPC1 (0.41) NPC1RAB9ASMN1; SMN2POLBTDP1
SCHEMBL770921 0.90 NPC1 (0.46) NPC1RAB9ASMN1; SMN2POLBTDP1
SCHEMBL769965 0.85 NPC1 (0.50) NPC1RAB9ASMN1; SMN2POLBTDP1
SCHEMBL770442 0.85 HSD11B1 (0.42) HSD11B1LMNAITGB3ITGA2BF2R
SCHEMBL770349 0.84 NPC1 (0.43) NPC1RAB9ASMN1; SMN2POLBTDP1
SCHEMBL771510 0.84 PRMT5 (0.33) HSD11B1LMNAPRMT5WDR77ITGB3
SCHEMBL770310 0.83 NPC1 (0.44) NPC1RAB9ASMN1; SMN2POLBTDP1
SCHEMBL769643 0.82 NPC1 (0.41) NPC1RAB9ASMN1; SMN2POLBTDP1
SCHEMBL770646 0.82 GNAI3 (0.42) NPC1RAB9ASMN1; SMN2POLBTDP1
SCHEMBL770033 0.81 NPC1 (0.46) NPC1RAB9ASMN1; SMN2POLBTDP1

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 NPC1 97/4885RAB9A 2187/4885SMN1; SMN2 3653/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 NPC1 104/4885RAB9A 2217/4885SMN1; SMN2 3637/4885

“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.