SCHEMBL770759

SCHEMBL770759

O=C(CCCSC(=O)N1CCC2CCCCC2C1)OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ CHRM2 P08172 1/20 0.41
▸ CHRM5 P08912 1/20 0.41
▸ CHRM1 P11229 1/20 0.41
▸ CHRM3 P20309 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ TGM2 P21980 3/20 0.39
▸ CCKBR P32239 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.39
▸ HSD11B1 P28845 1/20 0.39
▸ NOTUM Q6P988 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ FAAH O00519 1/20 0.38
▸ MGLL Q99685 1/20 0.38
▸ F13A1 P00488 2/20 0.37
▸ TGM1 P22735 2/20 0.37
▸ CYP2D6 P10635 1/20 0.37

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
SCHEMBL770036 0.82 NPC1 (0.48) SMN1; SMN2NPC1RAB9AHSD11B1
SCHEMBL7341385 0.78 SMN1; SMN2 (0.63) SMN1; SMN2NPC1RAB9ACYP2C19TGM2
SCHEMBL770072 0.78 HSD11B1 (0.40) SMN1; SMN2NPC1RAB9ATGM2CCKBR
SCHEMBL770758 0.77 SMN1; SMN2 (0.39) SMN1; SMN2NPC1RAB9ACYP2C19TGM2
Water SCHEMBL6465358 0.76 NOTUM (0.50) SMN1; SMN2NPC1RAB9ACHRM2CHRM5
SCHEMBL30834723 0.73 SMN1; SMN2 (0.66) SMN1; SMN2NPC1RAB9ACHRM2CHRM5
SCHEMBL8563347 0.73 SMN1; SMN2 (0.66) SMN1; SMN2NPC1RAB9ACHRM2CHRM5
SCHEMBL770518 0.73 HSD11B1 (0.42) NPC1RAB9ACCKBRHSD11B1
SCHEMBL770035 0.73 FAAH (0.40) SMN1; SMN2NPC1RAB9ACYP2C19NOTUM
SCHEMBL5121718 0.72 GRM5 (0.55) SMN1; SMN2NPC1RAB9AHRH3

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 10 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-8822452-B2 Inhibitor compounds of 11-beta-hydroxysteroid dehydrogenase type 1 LABORATORIOS SALVAT, S.A. (ES) 2014-09-02 — — US disclosed
US-20130303522-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 LABORATORIOS SALVAT, S.A. (ES) 2013-11-14 — — US disclosed
US-20130303522-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 LABORATORIOS SALVAT, S.A. (ES) 2013-11-14 — — US disclosed
US-20130303522-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 LABORATORIOS SALVAT, S.A. (ES) 2013-11-14 — — 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-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
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 SMN1; SMN2 3653/4885NPC1 97/4885RAB9A 2187/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 SMN1; SMN2 3637/4885NPC1 104/4885RAB9A 2217/4885

“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.

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