SCHEMBL2763367

SCHEMBL2763367

O=C(O)CC1CCCc2c1n(Cc1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc21

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 14/20 0.69
PDE2A O00408 6/20 0.69
PTGDR Q13258 9/20 0.63
TBXAS1 P24557 2/20 0.52
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
CYP3A4 P08684 1/20 0.51
MAPT P10636 1/20 0.51
CYP2C9 P11712 1/20 0.51
HPGD P15428 1/20 0.51
MAPK1 P28482 1/20 0.51
CYP2C19 P33261 1/20 0.51
KMT2A Q03164 1/20 0.51
HSD17B10 Q99714 1/20 0.51

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
SCHEMBL9518236 0.95 TBXA2R (0.78) TBXA2RPDE2APTGDR
SCHEMBL9518400 0.85 TBXA2R (0.75) TBXA2RPDE2APTGDR
SCHEMBL9518358 0.83 TBXA2R (0.85) TBXA2RPDE2APTGDR
SCHEMBL9518078 0.83 TBXA2R (0.60) TBXA2RPDE2APTGDR
SCHEMBL6949873 0.83 PDE2A (0.85) TBXA2RPDE2APTGDRMEN1ALDH1A1
SCHEMBL9277313 0.82 TBXA2R (1.00) TBXA2RPDE2APTGDRTBXAS1
SCHEMBL9518853 0.82 TBXA2R (0.85) TBXA2RPDE2APTGDRTBXAS1MEN1
SCHEMBL9518334 0.80 TBXA2R (0.79) TBXA2RPDE2APTGDR
SCHEMBL9518347 0.80 TBXA2R (0.79) TBXA2RPDE2APTGDR
SCHEMBL10413594 0.80 TBXA2R (0.96) TBXA2RPDE2APTGDRTBXAS1

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 7 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
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
EP-1656141-A1 TREATMENT FOR ALZHEIMER S DISEASE AND RELATED CONDITIONS MERCK SHARP & DOHME LTD. (GB) 2006-05-17 EP disclosed
WO-2005013985-A1 TREATMENT FOR ALZHEIMER'S DISEASE AND RELATED CONDITIONS MERCK SHARP & DOHME LIMITED (GB) 2005-02-17 WO disclosed
WO-2005013985-A1 TREATMENT FOR ALZHEIMER'S DISEASE AND RELATED CONDITIONS MERCK SHARP & DOHME LIMITED (GB) 2005-02-17 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-20080153817-A1 Treatment for Alzheimer's Disease and Related Conditions PSEN1, PSEN2, APP TBXA2R 1236/4885PDE2A 1086/4885PTGDR 566/4885

“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.