SCHEMBL770676

SCHEMBL770676

COc1ccccc1N1CCN(C(=O)CCCS(=O)(=O)N2CCCC3CCCC=C32)CC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ RAB9A P51151 1/20 0.47
▸ GAA P10253 2/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ LMNA P02545 3/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ KMT2A Q03164 3/20 0.45
▸ USP2 O75604 1/20 0.45
▸ HTR1A P08908 2/20 0.45
▸ HTR7 P34969 2/20 0.45
▸ DRD2 P14416 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ MEN1 O00255 1/20 0.45

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
SCHEMBL770821 0.89 AR (0.50) RAB9ALMNAALDH1A1SMN1; SMN2TSHR
SCHEMBL770284 0.85 L3MBTL1 (0.52) L3MBTL1RAB9AGAAHSD17B10LMNA
SCHEMBL770749 0.83 L3MBTL1 (0.56) L3MBTL1RAB9AGAAHSD17B10LMNA
SCHEMBL770150 0.80 POLB (0.40) L3MBTL1RAB9AALDH1A1HTTSMN1; SMN2
SCHEMBL770148 0.80 POLB (0.40) L3MBTL1RAB9AALDH1A1HTTSMN1; SMN2
SCHEMBL771132 0.80 POLB (0.40) L3MBTL1RAB9AALDH1A1HTTSMN1; SMN2
SCHEMBL770874 0.79 NPC1 (0.47) L3MBTL1RAB9ALMNAALDH1A1HTT
SCHEMBL769469 0.79 RAB9A (0.52) L3MBTL1RAB9AGAAHSD17B10LMNA
SCHEMBL772306 0.79 CACNA2D1 (0.47) GAALMNAALDH1A1KMT2AUSP2
SCHEMBL770677 0.79 RAB9A (0.52) L3MBTL1RAB9AGAAHSD17B10LMNA

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
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-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 (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 L3MBTL1 4097/4885RAB9A 2187/4885GAA 751/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 L3MBTL1 4090/4885RAB9A 2217/4885GAA 746/4885

“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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