SCHEMBL196025

SCHEMBL196025

COC(=O)c1cc(N2CCC(=O)CC2)ccc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.47
ALDH1A1 P00352 4/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
HTR6 P50406 2/20 0.43
MAPT P10636 5/20 0.42
KDM4E B2RXH2 2/20 0.42
TTR P02766 1/20 0.42
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
HTT P42858 2/20 0.40
LMNA P02545 1/20 0.40
MAPK10 P53779 1/20 0.39
PIK3CD O00329 1/20 0.39
AKT1 P31749 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL17893656 0.89 SIRT6 (0.44) SIRT6ALDH1A1HTR6MAPTKDM4E
SCHEMBL31032824 0.87 SIRT6 (0.50) SIRT6ALDH1A1HPGDTSHRHSD17B10
SCHEMBL194980 0.86 SIRT6 (0.49) SIRT6ALDH1A1HPGDTSHRHSD17B10
SCHEMBL23662583 0.83 MAPT (0.53) SIRT6ALDH1A1HPGDTSHRHSD17B10
SCHEMBL6506082 0.82 ALDH1A1 (0.50) SIRT6ALDH1A1HPGDTSHRHSD17B10
SCHEMBL194695 0.82 SIRT6 (0.46) SIRT6ALDH1A1HPGDTSHRHSD17B10
SCHEMBL17893579 0.82 MYC (0.57) SIRT6ALDH1A1HPGDTSHRHTR6
SCHEMBL26932182 0.82 MYC (0.47) SIRT6ALDH1A1HPGDTSHRHSD17B10
SCHEMBL6499993 0.81 ALDH1A1 (0.49) SIRT6ALDH1A1HPGDTSHRHSD17B10
SCHEMBL17893779 0.81 HIF1A (0.50) SIRT6ALDH1A1TSHRHTR6MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8754100-B2 Nitrogen-containing fused heterocyclic compounds and their use as beta amyloid production inhibitors EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-06-17 US disclosed
EP-2615090-A1 Nitrogen-containing fused heterocyclic compounds and their use as beta amyloid production inhibitors Eisai R&D Management Co., Ltd. (JP) 2013-07-17 EP disclosed
EP-2401276-B1 NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS BETA AMYLOID PRODUCTION INHIBITORS EISAI R&D MAN CO LTD (JP) 2013-06-05 EP disclosed
US-20120053171-A1 Nitrogen-Containing Fused Heterocyclic Compounds and Their use as Beta Amyloid Production Inhibitors EISAI R&D MANAGEMENT CO., LTD., (JP) 2012-03-01 US disclosed
EP-2401276-A1 NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS BETA AMYLOID PRODUCTION INHIBITORS Eisai R&D Management Co., Ltd. (JP) 2012-01-04 EP disclosed
WO-2010098487-A1 NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS BETA AMYLOID PRODUCTION INHIBITORS EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-09-02 WO 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 (1 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-20120053171-A1 Nitrogen-Containing Fused Heterocyclic Compounds and Their use as Beta Amyloid Production Inhibitors BACE1, APP, PSEN1 SIRT6 3195/4885ALDH1A1 3158/4885HPGD 1872/4885

“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.