SCHEMBL195461

SCHEMBL195461

NN1CC(O)CC(c2ccccc2C(F)(F)F)C1=O

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.40
GAA P10253 2/20 0.40
HTR2B P41595 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
RBP4 P02753 12/20 0.39
TP53 P04637 1/20 0.38
HTR2A P28223 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL187797 0.75 RBP4 (0.47) HTR2CGAAHTR2BTDP1RBP4
SCHEMBL12462449 0.75 RBP4 (0.47) HTR2CGAAHTR2BTDP1RBP4
SCHEMBL17907545 0.69 HTR2A (0.41) HTR2CHTR2BHTR2A
SCHEMBL2275505 0.69 HTR2A (0.41) HTR2CHTR2BHTR2A
SCHEMBL2275499 0.69 HTR2A (0.41) HTR2CHTR2BHTR2A
SCHEMBL909802 0.69 TP53 (0.41) HTR2CGAAHTR2BTDP1RBP4
SCHEMBL194569 0.69 GAA (0.36) HTR2CGAAHTR2BTDP1RBP4
SCHEMBL31389626 0.68 HTR2C (0.56) HTR2CGAAHTR2BTDP1RBP4
SCHEMBL22731163 0.66 GAA (0.47) HTR2CGAAHTR2BTDP1RBP4
SCHEMBL22727368 0.66 GAA (0.47) HTR2CGAAHTR2BTDP1RBP4

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 HTR2C 4230/4885GAA 306/4885HTR2B 3049/4885

“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.