SCHEMBL3608292

SCHEMBL3608292

CCCC(N)c1ccc(C(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 4/20 0.44
EPHX1 P07099 2/20 0.40
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
CES2 O00748 2/20 0.39
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.37
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
F7 P08709 1/20 0.36
CRHR1 P34998 2/20 0.35
DPP7 Q9UHL4 2/20 0.34
SLC6A4 P31645 1/20 0.34
MC4R P32245 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 0.89 PDE2A (0.40) PDE2AEPHX1HTR2AHTR2CHTR2B
SCHEMBL6816690 0.82 PDE2A (0.47) PDE2AHTR2AHTR2CHTR2BCES2
SCHEMBL18378264 0.82 PDE2A (0.43) PDE2AEPHX1CES2TAS1R3TAS1R1
SCHEMBL2855658 0.78 HTR2A (0.41) PDE2AHTR2AHTR2CHTR2BCES2
SCHEMBL12944872 0.77 MC4R (0.40) HTR2CHTR2BMAPTL3MBTL1SLC6A4
SCHEMBL906156 0.75 PDE2A (0.43) PDE2ASLC6A4MC4R
SCHEMBL3602797 0.75 PDE2A (0.43) PDE2ASLC6A4MC4R
SCHEMBL3595268 0.75 PDE2A (0.43) PDE2ASLC6A4MC4R
SCHEMBL18243407 0.75 PDE2A (0.49) PDE2ACES2LMNAMAPTATM
SCHEMBL8291096 0.74 PDE2A (0.50) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7728022-B2 (3-phenyl-1-{1-[4-(trifluoromethyl)phenyl]butyl}-4,5,6,7-tetrahydro-1H-indol-7-yl)acetic acid, used for treating diseases associated with the deposition of beta -amyloid peptide in the brain MERCK SHARP & DOHME LTD. (GB) 2010-06-01 US disclosed
US-7728022-B2 (3-phenyl-1-{1-[4-(trifluoromethyl)phenyl]butyl}-4,5,6,7-tetrahydro-1H-indol-7-yl)acetic acid, used for treating diseases associated with the deposition of beta -amyloid peptide in the brain MERCK SHARP & DOHME LTD. (GB) 2010-06-01 US disclosed
US-7728022-B2 (3-phenyl-1-{1-[4-(trifluoromethyl)phenyl]butyl}-4,5,6,7-tetrahydro-1H-indol-7-yl)acetic acid, used for treating diseases associated with the deposition of beta -amyloid peptide in the brain MERCK SHARP & DOHME LTD. (GB) 2010-06-01 US disclosed
EP-1748982-B1 (4, 5, 6, 7-TETRAHYDRO-1-H-INDOL-7-YL) ACETIC ACID DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (GB) 2009-07-29 EP disclosed
EP-1748982-B1 (4, 5, 6, 7-TETRAHYDRO-1-H-INDOL-7-YL) ACETIC ACID DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (GB) 2009-07-29 EP disclosed
US-20070232678-A1 (4, 5, 6, 7-Tetrahydro-1-H-Indol-7-Yl) Acetic Acid Derivatives for Treatment of Alzheimer's Disease MERCK SHARP & DOHME LTD. (GB) 2007-10-04 US disclosed
US-20070232678-A1 (4, 5, 6, 7-Tetrahydro-1-H-Indol-7-Yl) Acetic Acid Derivatives for Treatment of Alzheimer's Disease MERCK SHARP & DOHME LTD. (GB) 2007-10-04 US disclosed
US-20070232678-A1 (4, 5, 6, 7-Tetrahydro-1-H-Indol-7-Yl) Acetic Acid Derivatives for Treatment of Alzheimer's Disease MERCK SHARP & DOHME LTD. (GB) 2007-10-04 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-20070232678-A1 (4, 5, 6, 7-Tetrahydro-1-H-Indol-7-Yl) Acetic Acid Derivatives for Treatment of Alzheimer's Disease APP, BACE1, CHAT PDE2A 1534/4885EPHX1 1532/4885HTR2A 192/4885

“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.