SCHEMBL2764096

SCHEMBL2764096

CCC[C@@H](Br)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.43
SLC6A4 P31645 1/20 0.40
GSK3B P49841 2/20 0.39
MC4R P32245 1/20 0.37
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
CYP19A1 P11511 1/20 0.36
CYP3A4 P08684 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM1A O60341 1/20 0.36
RCOR1 Q9UKL0 1/20 0.36
PTPN1 P18031 1/20 0.35
ACP3 P15309 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
FFAR1 O14842 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 1.00 PDE2A (0.43) PDE2ASLC6A4GSK3BMC4RCES2
SCHEMBL6391223 0.89 PDE2A (0.41) PDE2ASLC6A4GSK3BMC4RCES2
SCHEMBL18243484 0.85 PDE2A (0.43) PDE2ASLC6A4GSK3BMC4RCES2
SCHEMBL9337585 0.84 PDE2A (0.46) PDE2AGSK3BMC4RCES2CES1
SCHEMBL2316809 0.83 PDE2A (0.42) PDE2ASLC6A4GSK3BMC4RCES2
SCHEMBL15435343 0.82 GRIA4 (0.45) FFAR1
SCHEMBL16976289 0.80 PDE2A (0.46) PDE2ASLC6A4MC4RCES2CES1
SCHEMBL9187166 0.78 PDE2A (0.44) PDE2ASLC6A4MC4RCES2CES1
SCHEMBL2090318 0.78 PDE2A (0.49) PDE2ASLC6A4MC4RCES2CES1
SCHEMBL2125627 0.78 ALDH1A1 (0.40) SLC6A4MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1656141-B1 TREATMENT FOR ALZHEIMER S DISEASE AND RELATED CONDITIONS MERCK SHARP & DOHME (GB) 2010-04-14 EP disclosed
US-20080153817-A1 Treatment for Alzheimer's Disease and Related Conditions MERCK SHARP & DOHME LTD. (GB) 2008-06-26 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-20080153817-A1 Treatment for Alzheimer's Disease and Related Conditions PSEN1, PSEN2, APP PDE2A 1086/4885SLC6A4 766/4885GSK3B 556/4885

“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.