SCHEMBL4781916

SCHEMBL4781916

NC(=O)c1ccccc1C1CCC2CCCCC2N1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 2/20 0.40
▸ TP53 P04637 1/20 0.37
▸ METAP2 P50579 1/20 0.36
▸ PARP1 P09874 10/20 0.35
▸ ADRA1A P35348 1/20 0.34
▸ TSHR P16473 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2B6 P20813 1/20 0.33
▸ LMNA P02545 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
SCHEMBL28797862 0.77 KDM4E (0.38) SIRT2METAP2PARP1ADRA1ATSHR
SCHEMBL27871688 0.77 KCNH2 (0.46) ADRA1ATSHRKDM4EALDH1A1MAPT
SCHEMBL27814421 0.74 PARP1 (0.55) SIRT2TP53PARP1
Hydrochloric Acid SCHEMBL27637867 0.72 PARP1 (0.54) SIRT2TP53PARP1
SCHEMBL27802575 0.72 PARP1 (0.51) SIRT2TP53METAP2PARP1ADRA1A
SCHEMBL27806404 0.72 PARP1 (0.51) SIRT2TP53METAP2PARP1ADRA1A
SCHEMBL161226 0.72 KDM4E (0.50) SIRT2TP53METAP2PARP1ADRA1A
SCHEMBL28944768 0.72 PARP1 (0.54) PARP1
SCHEMBL27823213 0.72 PARP1 (0.54) PARP1
SCHEMBL307050 0.71 KDM4E (0.53) SIRT2TP53METAP2PARP1ADRA1A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3373920-A1 METHODS AND COMPOSITIONS FOR TREATING ALCOHOL USE DISORDERS Sanna, Pietro Paolo (US) 2018-09-19 — — EP disclosed
US-10039772-B2 Methods and compositions for treating alcohol use disorders SANNA PIETRO PAOLO (US) 2018-08-07 — — US disclosed
US-20170232007-A1 METHODS AND COMPOSITIONS FOR TREATING ALCOHOL USE DISORDERS SANNA PIETRO PAOLO (US) 2017-08-17 — — US disclosed
WO-2017083795-A1 METHODS AND COMPOSITIONS FOR TREATING ALCOHOL USE DISORDERS SANNA PIETRO PAOLO (US) 2017-05-18 — — WO disclosed
WO-2008071169-A2 METHOD FOR THE PRODUCTION OF SPECIFIC INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE, IN PARTICULAR TYPE 1 WITH BASIC NOR-OLEANAN OR NOR-URSAN FRAMEWORKS UNIVERSITÄTSKLINIKUM SCHLESWIG-HOLSTEIN (DE) 2008-06-19 — — WO disclosed
US-4480099-A Decahydroquinolyl benzamides BEECHAM GROUP P.L.C. (GB) 1984-10-30 — — US disclosed
EP-0068699-A1 Decahydroquinolyl benzamides, process for their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1983-01-05 — — EP 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-10039772-B2 Methods and compositions for treating alcohol use disorders HSD3B1, HSD11B1, HSD3B2 SIRT2 4119/4885TP53 4756/4885METAP2 3779/4885
US-20170232007-A1 METHODS AND COMPOSITIONS FOR TREATING ALCOHOL USE DISORDERS HSD3B1, HSD11B1, HSD3B2 SIRT2 4119/4885TP53 4756/4885METAP2 3779/4885

“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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