SCHEMBL253085

SCHEMBL253085

NN1CCCC(Cc2ccccc2C(F)(F)F)C1=O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP27A1 Q02318 1/20 0.44
CYP24A1 Q07973 1/20 0.44
KDM4E B2RXH2 8/20 0.44
ALDH1A1 P00352 6/20 0.44
HSD11B1 P28845 1/20 0.43
DPP4 P27487 3/20 0.42
FAP Q12884 1/20 0.42
DPP8 Q6V1X1 1/20 0.42
DPP9 Q86TI2 1/20 0.42
NPSR1 Q6W5P4 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
ATM Q13315 2/20 0.40
RECQL P46063 1/20 0.40
GAA P10253 1/20 0.40
POLB P06746 1/20 0.39
MEN1 O00255 1/20 0.39
IDO1 P14902 1/20 0.39

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
SCHEMBL3551332 0.79 HSD11B1 (0.64) CYP27A1CYP24A1KDM4EALDH1A1HSD11B1
SCHEMBL9834895 0.77 HSD11B1 (0.60) ALDH1A1HSD11B1KMT2AMEN1
SCHEMBL12462449 0.75 RBP4 (0.47) KMT2AMAPTTDP1GAAMEN1
SCHEMBL187797 0.75 RBP4 (0.47) KMT2AMAPTTDP1GAAMEN1
SCHEMBL28793486 0.74 KDM4E (0.41) KDM4EALDH1A1HSD11B1DPP4FAP
SCHEMBL11790789 0.73 CYP27A1 (0.46) CYP27A1CYP24A1KDM4EALDH1A1HSD11B1
SCHEMBL4500800 0.72 CYP27A1 (0.48) CYP27A1CYP24A1KDM4EALDH1A1NPSR1
SCHEMBL23642722 0.71 MEN1 (0.61) KDM4EALDH1A1KMT2AMAPTTDP1
SCHEMBL722211 0.71 KDM4E (0.38) KDM4EALDH1A1DPP4FAPDPP8
SCHEMBL238778 0.71 KDM4E (0.38) KDM4EALDH1A1HSD11B1DPP4FAP

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 CYP27A1 1436/4885CYP24A1 3261/4885KDM4E 3198/4885

“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.