SCHEMBL194980

SCHEMBL194980

COC(=O)c1cc(N2CCCCC2)ccc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.49
HIF1A Q16665 2/20 0.48
NPC1 O15118 6/20 0.48
RAB9A P51151 6/20 0.48
KDM4E B2RXH2 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
NPSR1 Q6W5P4 2/20 0.48
ALDH1A1 P00352 5/20 0.47
HPGD P15428 2/20 0.47
TSHR P16473 2/20 0.47
HSD17B10 Q99714 1/20 0.47
MAPT P10636 8/20 0.47
TP53 P04637 2/20 0.47
MCL1 Q07820 1/20 0.47
IP6K1 Q92551 1/20 0.47
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46
HTR6 P50406 1/20 0.44
GFER P55789 3/20 0.44
CYP1A2 P05177 1/20 0.44

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
SCHEMBL31032824 0.95 SIRT6 (0.50) SIRT6HIF1ANPC1RAB9AKDM4E
SCHEMBL16608992 0.88 RAB9A (0.53) SIRT6HIF1ANPC1RAB9AKDM4E
SCHEMBL20976884 0.87 MAPT (0.51) SIRT6HIF1ANPC1RAB9AKDM4E
SCHEMBL196025 0.86 SIRT6 (0.47) SIRT6KDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL23662583 0.86 MAPT (0.53) SIRT6NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL6506082 0.85 ALDH1A1 (0.50) SIRT6NPC1RAB9AKDM4EALDH1A1
SCHEMBL194695 0.85 SIRT6 (0.46) SIRT6HIF1AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL6499993 0.83 ALDH1A1 (0.49) SIRT6NPC1RAB9AKDM4EALDH1A1
SCHEMBL40467 0.82 IP6K1 (0.66) SIRT6HIF1ANPC1RAB9AKDM4E
SCHEMBL31032891 0.81 ALDH1A1 (0.46) SIRT6KDM4EALDH1A1HPGDTSHR

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 3195/4885HIF1A 2282/4885NPC1 85/4885

“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.