SCHEMBL6100359

SCHEMBL6100359

C[C@@H](O)c1ccc(Cl)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.44
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
APH1B Q8WW43 1/20 0.44
NCSTN Q92542 1/20 0.44
APH1A Q96BI3 1/20 0.44
PSENEN Q9NZ42 1/20 0.44
UGT2B7 P16662 1/20 0.44
FFAR1 O14842 1/20 0.39
PDE2A O00408 1/20 0.38
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
KCNH2 Q12809 1/20 0.37
SHBG P04278 1/20 0.37
EPAS1 Q99814 1/20 0.37
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
GPR139 Q6DWJ6 3/20 0.36
RAPGEF4 Q8WZA2 1/20 0.36

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
SCHEMBL31611813 1.00 APP (0.44) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL3978580 1.00 APP (0.44) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL3971787 0.85 S1PR3 (0.43) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL13311775 0.83 SLC6A2 (0.49) APPUGT2B7PDE2ASLC6A2SLC6A4
SCHEMBL531071 0.83 APP (0.42) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL15518165 0.81 APP (0.40) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL15496334 0.81 APP (0.40) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL4430697 0.80 TRPV4 (0.47) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL4102499 0.80 CES2 (0.50) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL2001014 0.80 CES2 (0.50) APPPSEN1PSEN2APH1BNCSTN

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
CN-1894213-A Substituted tetrahydrocarbazole and cyclopentanoindole derivatives MERCK & CO INC (CA) 2007-01-10 CN disclosed
US-7019022-B2 Substituted tetrahydrocarbazole and cyclopentanoindole derivatives MERCK FROSST CANADA & CO. (CA) 2006-03-28 US disclosed
US-20050154044-A1 Substituted tetrahydrocarbazole and cyclopentanoindole derivatives MERCK FROSST CANADA LTD. (CA) 2005-07-14 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-20050154044-A1 Substituted tetrahydrocarbazole and cyclopentanoindole derivatives PTGIR, PTGDR, PTGDR2 APP 4204/4885PSEN1 3038/4885PSEN2 2523/4885

“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.