SCHEMBL3494426

SCHEMBL3494426

CC#CCN1CCC2(CC1C)C(N1CCCC1c1ccccc1)=NC(=O)N2c1cccc(F)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 7/20 0.35
PIK3C3 Q8NEB9 7/20 0.34
JAK2 O60674 1/20 0.32
NTRK1 P04629 1/20 0.32
INSR P06213 1/20 0.32
LYN P07948 1/20 0.32
RET P07949 1/20 0.32
MET P08581 1/20 0.32
ROS1 P08922 1/20 0.32
FGR P09769 1/20 0.32
KIT P10721 1/20 0.32
FGFR4 P22455 1/20 0.32
FGFR3 P22607 1/20 0.32
TIE1 P35590 1/20 0.32
KDR P35968 1/20 0.32
FLT3 P36888 1/20 0.32
NTRK3 Q16288 1/20 0.32
NTRK2 Q16620 1/20 0.32
ALK Q9UM73 1/20 0.32
TSHR P16473 1/20 0.31

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
SCHEMBL3494430 1.00 BACE1 (0.35) BACE1PIK3C3JAK2NTRK1INSR
SCHEMBL3492834 0.95 BACE1 (0.36) BACE1OPRM1OPRD1OPRK1OPRL1
SCHEMBL3492837 0.95 BACE1 (0.36) BACE1OPRM1OPRD1OPRK1OPRL1
SCHEMBL3493353 0.92 BACE1 (0.38) BACE1PIK3C3
SCHEMBL3494486 0.91 BACE1 (0.34) BACE1
SCHEMBL3494484 0.91 BACE1 (0.34) BACE1
SCHEMBL3493732 0.90 PIK3C3 (0.33) BACE1PIK3C3JAK2NTRK1INSR
SCHEMBL13461509 0.90 BACE1 (0.37) BACE1PIK3C3JAK2NTRK1INSR
SCHEMBL3491582 0.88 BACE1 (0.37) BACE1PIK3C3
SCHEMBL3491578 0.88 BACE1 (0.37) BACE1PIK3C3

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-8293759-B2 Spiropiperidine beta-secretase inhibitors for the treatment of alzheimer's disease Merck, Sharp & Dohme, Corp. (US) 2012-10-23 US claimed
EP-2091328-B1 SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (US) 2011-12-28 EP claimed
US-20100069419-A1 SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME LLC 2010-03-18 US claimed
US-8293759-B2 Spiropiperidine beta-secretase inhibitors for the treatment of alzheimer's disease Merck, Sharp & Dohme, Corp. (US) 2012-10-23 US disclosed
EP-2091328-B1 SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (US) 2011-12-28 EP disclosed
US-20100069419-A1 SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME LLC 2010-03-18 US 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-20100069419-A1 SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE BACE1, BACE2, APP BACE1 1/4885PIK3C3 4586/4885JAK2 4826/4885

“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.