SCHEMBL2316809

SCHEMBL2316809

CC(C)CCC(Br)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.42
ALDH1A1 P00352 1/20 0.40
GSK3B P49841 1/20 0.38
PSEN1 P49768 2/20 0.37
PSEN2 P49810 2/20 0.37
APH1B Q8WW43 2/20 0.37
NCSTN Q92542 2/20 0.37
APH1A Q96BI3 2/20 0.37
PSENEN Q9NZ42 2/20 0.37
MC4R P32245 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
CYP19A1 P11511 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35

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
SCHEMBL3612320 0.83 PDE2A (0.43) PDE2AGSK3BMC4RSLC6A4CES2
SCHEMBL2764096 0.83 PDE2A (0.43) PDE2AGSK3BMC4RSLC6A4CES2
SCHEMBL6391223 0.80 PDE2A (0.41) PDE2AALDH1A1GSK3BMC4RSLC6A4
SCHEMBL9337585 0.79 PDE2A (0.46) PDE2AALDH1A1GSK3BMC4RCES2
SCHEMBL3586954 0.78 HSD11B1 (0.46) PDE2AALDH1A1PSEN1PSEN2APH1B
SCHEMBL2319191 0.78 PDE2A (0.42) PDE2AALDH1A1PSEN1PSEN2APH1B
SCHEMBL2320826 0.78 PDE2A (0.42) PDE2AALDH1A1PSEN1PSEN2APH1B
SCHEMBL2319194 0.78 PDE2A (0.42) PDE2AALDH1A1PSEN1PSEN2APH1B
SCHEMBL678227 0.76 PDE2A (0.50) PDE2AALDH1A1GSK3BCES2CES1
SCHEMBL28161010 0.75 ESR1 (0.48) ALDH1A1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8203004-B2 Tetrahydroindole derivatives for treatment of alzheimer's disease MERCK, SHARP & DOHME LIMITED (GB) 2012-06-19 US disclosed
US-8203004-B2 Tetrahydroindole derivatives for treatment of alzheimer's disease MERCK, SHARP & DOHME LIMITED (GB) 2012-06-19 US disclosed
US-8203004-B2 Tetrahydroindole derivatives for treatment of alzheimer's disease MERCK, SHARP & DOHME LIMITED (GB) 2012-06-19 US disclosed
EP-1948603-B1 TETRAHYDROINDOLE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (GB) 2011-08-10 EP disclosed
US-20100016308-A1 Tetrahydroindole Derivatives for Treatment of Alzheimer's Disease MERCK SHARP & DOHME LIMITED (GB) 2010-01-21 US disclosed
US-20100016308-A1 Tetrahydroindole Derivatives for Treatment of Alzheimer's Disease MERCK SHARP & DOHME LIMITED (GB) 2010-01-21 US disclosed
US-20100016308-A1 Tetrahydroindole Derivatives for Treatment of Alzheimer's Disease MERCK SHARP & DOHME LIMITED (GB) 2010-01-21 US disclosed
EP-1948603-A1 TETRAHYDROINDOLE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME LTD. (GB) 2008-07-30 EP disclosed
WO-2007054739-A1 TETRAHYDROINDOLE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME LIMITED (GB) 2007-05-18 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-20100016308-A1 Tetrahydroindole Derivatives for Treatment of Alzheimer's Disease BACE1, BACE2, PSEN2 PDE2A 561/4885ALDH1A1 569/4885GSK3B 178/4885

“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.