SCHEMBL2882405

SCHEMBL2882405

CC(N)c1cc(C(F)(F)F)ccc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 7/20 0.43
HTR2A P28223 2/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
CES2 O00748 2/20 0.43
SCN10A Q9Y5Y9 1/20 0.37
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
MC4R P32245 1/20 0.35
SLC6A4 P31645 1/20 0.35
KCNH2 Q12809 1/20 0.35
ALDH1A1 P00352 1/20 0.34
DPP7 Q9UHL4 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
SCHEMBL14121100 1.00 PDE2A (0.43) PDE2AHTR2AHTR2CHTR2BCES2
SCHEMBL14121399 1.00 PDE2A (0.43) PDE2AHTR2AHTR2CHTR2BCES2
SCHEMBL6816690 0.85 PDE2A (0.47) PDE2AHTR2AHTR2CHTR2BCES2
SCHEMBL12868145 0.84 PDE2A (0.46) PDE2AHTR2AHTR2CHTR2BCES2
SCHEMBL23675536 0.81 PDE2A (0.61) PDE2AHTR2AHTR2CHTR2BCES2
SCHEMBL21801027 0.81 PDE2A (0.51) PDE2AHTR2AHTR2CHTR2BSCN10A
SCHEMBL22717043 0.81 PDE2A (0.61) PDE2AHTR2AHTR2CHTR2BCES2
SCHEMBL20832010 0.81 IDO1 (0.40) PDE2AHTR2AHTR2CIDO1SLC6A4
SCHEMBL22717245 0.81 P2RX7 (0.47) PDE2AHTR2AHTR2CHTR2BCES2
SCHEMBL19750893 0.81 PDE2A (0.47) PDE2AHTR2AHTR2CHTR2BCES2

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
EP-1805141-B1 PIPERIDINES AND RELATED COMPOUNDS FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (GB) 2010-01-20 EP disclosed
US-7638629-B2 Piperidines and related compounds for treatment of alzheimer's disease Merck Sharp & Dohme Ltd, (GB) 2009-12-29 US disclosed
US-20080021043-A1 Piperidines and Related Compounds for Treatment of Alzheimer's Disease MERCK SHARP & DOHME LTD. (GB) 2008-01-24 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-20080021043-A1 Piperidines and Related Compounds for Treatment of Alzheimer's Disease PSEN1, PSEN2, APP PDE2A 112/4885HTR2A 389/4885HTR2C 1373/4885

“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.