SCHEMBL2764596

SCHEMBL2764596

CC(C)c1ccc(N(N)C(CO)c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 4/20 0.43
NR1H3 Q13133 4/20 0.43
PDE2A O00408 2/20 0.41
PTPN5 P54829 1/20 0.39
TP53 P04637 2/20 0.36
MAPT P10636 2/20 0.36
S1PR1 P21453 1/20 0.36
UTS2R Q9UKP6 2/20 0.35
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
HIF1A Q16665 1/20 0.34
ACP3 P15309 1/20 0.34
CNR2 P34972 1/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34

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
SCHEMBL4932031 0.90 PDE2A (0.39) NR1H2NR1H3PDE2APTPN5TP53
SCHEMBL2763790 0.87 PDE2A (0.37) PDE2APTPN5TP53MAPTUTS2R
Ethylamine SCHEMBL27563059 0.76 PDE2A (0.50) PDE2APTPN5CYP2D6CYP2C9HIF1A
SCHEMBL84043 0.74 PDE2A (0.53) PDE2APTPN5CYP2D6CYP2C9HIF1A
SCHEMBL14404367 0.72 KIF11 (0.47) PDE2A
Ammonia Solution, Strong SCHEMBL27642816 0.72 PDE2A (0.52) PDE2APTPN5CYP2D6CYP2C9HIF1A
SCHEMBL2763430 0.70 PDE2A (0.47) PDE2APTPN5CYP2D6CYP2C9HIF1A
SCHEMBL27654394 0.69 CES2 (0.45) PDE2APTPN5UTS2RCYP2D6CYP2C9
SCHEMBL5540984 0.69 PDE2A (0.46) PDE2APTPN5CYP2D6CYP2C9HIF1A
SCHEMBL29331540 0.69 PDE2A (0.46) PDE2AACP3AKR1C3AKR1C2

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
EP-1656141-B1 TREATMENT FOR ALZHEIMER S DISEASE AND RELATED CONDITIONS MERCK SHARP & DOHME (GB) 2010-04-14 EP disclosed
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
US-20080153817-A1 Treatment for Alzheimer's Disease and Related Conditions MERCK SHARP & DOHME LTD. (GB) 2008-06-26 US disclosed
US-20080153817-A1 Treatment for Alzheimer's Disease and Related Conditions MERCK SHARP & DOHME LTD. (GB) 2008-06-26 US disclosed
CN-1832744-A Treatment for alzheimer's disease and related conditions MERCK SHARP & DOHME (GB) 2006-09-13 CN 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 NR1H2 56/4885NR1H3 67/4885PDE2A 1086/4885

“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.