SCHEMBL4932031

SCHEMBL4932031

CCC(c1ccc(C(F)(F)F)cc1)N(N)c1ccc(C(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.39
CRHR1 P34998 4/20 0.36
TP53 P04637 2/20 0.35
MAPT P10636 2/20 0.35
KIF11 P52732 1/20 0.34
PTPN5 P54829 1/20 0.34
MC4R P32245 1/20 0.34
NR1H2 P55055 3/20 0.33
NR1H3 Q13133 3/20 0.33
UTS2R Q9UKP6 2/20 0.33
P2RX3 P56373 1/20 0.33

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
SCHEMBL2764596 0.90 NR1H2 (0.43) PDE2ATP53MAPTPTPN5NR1H2
SCHEMBL2763790 0.89 PDE2A (0.37) PDE2ACRHR1TP53MAPTKIF11
Ethylamine SCHEMBL27563059 0.77 PDE2A (0.50) PDE2AKIF11PTPN5MC4R
SCHEMBL84043 0.75 PDE2A (0.53) PDE2AKIF11PTPN5
SCHEMBL2763430 0.74 PDE2A (0.47) PDE2APTPN5
SCHEMBL14404367 0.73 KIF11 (0.47) PDE2AKIF11
Ammonia Solution, Strong SCHEMBL27642816 0.73 PDE2A (0.52) PDE2AKIF11PTPN5
SCHEMBL5540984 0.70 PDE2A (0.46) PDE2AKIF11PTPN5
SCHEMBL14087362 0.69 PTPN5 (0.59) PDE2AKIF11PTPN5
SCHEMBL23058137 0.69 CRHR1 (0.40) PDE2ACRHR1TP53MC4RUTS2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 1086/4885CRHR1 929/4885TP53 3990/4885

“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.