SCHEMBL6486287

SCHEMBL6486287

NCC1=COC(=O)C1c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 7/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 2/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPK1 P28482 1/20 0.39
SLC6A3 Q01959 2/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
GAA P10253 1/20 0.35
RAB9A P51151 1/20 0.33
HTR2C P28335 7/20 0.32
HTR2A P28223 4/20 0.32
MAOB P27338 2/20 0.32
LOXL2 Q9Y4K0 1/20 0.32
ABL1 P00519 1/20 0.32
RIN1 Q13671 1/20 0.32
KDM4E B2RXH2 2/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL7159370 0.78 PTPRF (0.36) HTR2BMAPTLMNATP53CYP1A2
SCHEMBL6488239 0.77 CNR2 (0.35) HTR2BMAPTLMNATP53CYP1A2
SCHEMBL2644762 0.73 MAPT (0.42) HTR2BMAPTLMNATP53CYP1A2
SCHEMBL16046136 0.72 MAPT (0.41) HTR2BMAPTLMNATP53CYP1A2
SCHEMBL6672104 0.69 CUL4A (0.40) HTR2BMAPTLMNATP53CYP1A2
SCHEMBL10533506 0.69 MAPT (0.39) HTR2BMAPTLMNATP53CYP1A2
SCHEMBL3865099 0.68 MAPT (0.37) HTR2BMAPTLMNATP53CYP1A2
SCHEMBL10707636 0.66 MAPT (0.52) HTR2BMAPTLMNATP53CYP1A2
SCHEMBL27932143 0.62 MAPT (0.65) HTR2BMAPTLMNATP53CYP1A2
SCHEMBL16174791 0.59 KDM1A (0.44) HTR2BMAPTLMNATP53CYP1A2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6964981-B2 Tetrahydrofuran derivatives and their use as NK-1 antagonists MERCK SHARP & DOHME LTD. (GB) 2005-11-15 US disclosed
US-20030199500-A1 Tetrahydrofuran derivatives and their use as nk-1 antagonists MERCK SHARP & DOHME LTD. (GB) 2003-10-23 US disclosed
EP-1322629-A1 TETRAHYDROFURAN DERIVATIVES AND THEIR USE AS NK-1 ANTAGONISTS Merck Sharp & Dohme Limited (GB) 2003-07-02 EP disclosed
WO-2002024673-A1 TETRAHYDROFURAN DERIVATIVES AND THEIR USE AS NK-1 ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 2002-03-28 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-20030199500-A1 Tetrahydrofuran derivatives and their use as nk-1 antagonists GRIK1, OPRK1, GRIK5 HTR2B 230/4885MAPT 4057/4885LMNA 3985/4885

“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.