SCHEMBL2855658

SCHEMBL2855658

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
SCN10A Q9Y5Y9 1/20 0.37
PDE2A O00408 4/20 0.37
CES2 O00748 2/20 0.37
F7 P08709 1/20 0.35
MC4R P32245 5/20 0.34
TACR1 P25103 1/20 0.34
TRPV3 Q8NET8 1/20 0.34
PSMB11 A5LHX3 1/20 0.34
PSMA7 O14818 1/20 0.34
PSMB1 P20618 1/20 0.34
PSMA1 P25786 1/20 0.34
PSMA2 P25787 1/20 0.34
PSMA3 P25788 1/20 0.34
PSMA4 P25789 1/20 0.34
PSMB8 P28062 1/20 0.34
PSMB9 P28065 1/20 0.34
PSMA5 P28066 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
SCHEMBL2862348 0.86 PDE2A (0.40) HTR2AHTR2CHTR2BSCN10APDE2A
SCHEMBL2882405 0.80 PDE2A (0.43) HTR2AHTR2CHTR2BSCN10APDE2A
SCHEMBL14121100 0.80 PDE2A (0.43) HTR2AHTR2CHTR2BSCN10APDE2A
SCHEMBL14121399 0.80 PDE2A (0.43) HTR2AHTR2CHTR2BSCN10APDE2A
SCHEMBL3608292 0.78 PDE2A (0.44) HTR2AHTR2CHTR2BSCN10APDE2A
SCHEMBL14684976 0.76 SMN1; SMN2 (0.36) HTR2AHTR2CHTR2BSCN10AMC4R
SCHEMBL12868145 0.76 PDE2A (0.46) HTR2AHTR2CHTR2BPDE2ACES2
SCHEMBL2319194 0.75 PDE2A (0.42) HTR2AHTR2CHTR2BSCN10APDE2A
SCHEMBL2319191 0.75 PDE2A (0.42) HTR2AHTR2CHTR2BSCN10APDE2A
SCHEMBL2320826 0.75 PDE2A (0.42) HTR2AHTR2CHTR2BSCN10APDE2A

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
EP-1805141-B1 PIPERIDINES AND RELATED COMPOUNDS FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (GB) 2010-01-20 EP disclosed
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-7638629-B2 Piperidines and related compounds for treatment of alzheimer's disease Merck Sharp & Dohme Ltd, (GB) 2009-12-29 US 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
US-20080021043-A1 Piperidines and Related Compounds for Treatment of Alzheimer's Disease MERCK SHARP & DOHME LTD. (GB) 2008-01-24 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
WO-2006043064-A1 PIPERIDINES AND RELATED COMPOUNDS FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME LIMITED (GB) 2006-04-27 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-20080021043-A1 Piperidines and Related Compounds for Treatment of Alzheimer's Disease PSEN1, PSEN2, APP HTR2A 389/4885HTR2C 1373/4885HTR2B 591/4885

“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.