SCHEMBL1720591

SCHEMBL1720591

O=C(c1ccc(F)cc1)C1CCN(C(=O)c2ccccc2)C1

nearest known ligand 0.84

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 11/20 0.84
SLC18A3 Q16572 4/20 0.72
MGLL Q99685 2/20 0.65
NPC1 O15118 1/20 0.65
RAB9A P51151 1/20 0.65
ATM Q13315 1/20 0.65
KDM4E B2RXH2 1/20 0.65
POLB P06746 1/20 0.65
GAA P10253 1/20 0.65
MEN1 O00255 1/20 0.63
KMT2A Q03164 1/20 0.63

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
SCHEMBL5476619 1.00 HSD11B1 (0.84) HSD11B1SLC18A3MGLLNPC1RAB9A
SCHEMBL5468364 0.94 HSD11B1 (0.82) HSD11B1SLC18A3MGLLKDM4EPOLB
SCHEMBL5468368 0.94 HSD11B1 (0.82) HSD11B1SLC18A3MGLLKDM4EPOLB
SCHEMBL21928849 0.92 HSD11B1 (0.71) HSD11B1SLC18A3MGLLNPC1RAB9A
SCHEMBL1720014 0.92 HSD11B1 (1.00) HSD11B1SLC18A3MGLLKDM4EPOLB
SCHEMBL1719734 0.91 MGLL (0.68) HSD11B1SLC18A3MGLLMEN1KMT2A
SCHEMBL5472341 0.88 MGLL (0.85) HSD11B1MGLLKDM4EPOLBGAA
SCHEMBL5472343 0.88 MGLL (0.85) HSD11B1MGLLKDM4EPOLBGAA
SCHEMBL1720091 0.86 MGLL (0.84) HSD11B1MGLLMEN1KMT2A
SCHEMBL5474311 0.86 HSD11B1 (0.68) HSD11B1SLC18A3MGLLNPC1RAB9A

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
US-20070219266-A1 N-Acylated-3-(Benzoyl)-Pyrrolidines as 11-Beta-HSD1 Inhibitors Useful for the Treatment of Metabolic Disorders ASTRAZENECA AB (SE) 2007-09-20 US claimed
EP-1685101-A1 N-ACYLATED-3-(BENZOYL)-PYRROLIDINES AS 11-BETA-HSD1 INHIBITORS USEFUL FOR THE TREATMENT OF METABOLIC DISORDERS. AstraZeneca AB (SE) 2006-08-02 EP claimed
WO-2005047250-A1 N-ACYLATED-3- (BENZOYL) - PYRROLIDINES AS 11-BETA-HSD1 INHIBITORS USEFUL FOR THE TREATMENT OF METABOLIC DISORDERS. ASTRAZENECA AB (SE) 2005-05-26 WO claimed
EP-1566380-B1 ISOQUINOLINE COMPOUNDS AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2012-01-11 EP disclosed
US-7501412-B2 Isoquinoline compounds and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-10 US disclosed
US-20060094743-A1 Isoquinoline compounds and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2006-05-04 US disclosed
EP-1566380-A1 ISOQUINOLINE COMPOUNDS AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2005-08-24 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-20060094743-A1 Isoquinoline compounds and medicinal use thereof PARP1, NQO1, PARP3 HSD11B1 2026/4885SLC18A3 2864/4885MGLL 3022/4885
US-20070219266-A1 N-Acylated-3-(Benzoyl)-Pyrrolidines as 11-Beta-HSD1 Inhibitors Useful for the Treatment of Metabolic Disorders HSD11B1, HSD3B1, HSD17B1 HSD11B1 1/4885SLC18A3 4355/4885MGLL 1535/4885

“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.