SCHEMBL5752833

SCHEMBL5752833

COC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 2/20 0.58
LMNA P02545 2/20 0.48
TRPM5 Q9NZQ8 3/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HTR2A P28223 2/20 0.45
HTR2C P28335 2/20 0.45
HTR2B P41595 2/20 0.45
MDM2 Q00987 3/20 0.45
TP53 P04637 2/20 0.45
SLC6A4 P31645 2/20 0.44
SLC6A3 Q01959 2/20 0.44
HTT P42858 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
SLC6A2 P23975 1/20 0.43

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
SCHEMBL5752830 1.00 SLC9A1 (0.58) SLC9A1LMNATRPM5ALDH1A1MEN1
SCHEMBL30715031 1.00 SLC9A1 (0.58) SLC9A1LMNATRPM5ALDH1A1MEN1
SCHEMBL29302528 1.00 SLC9A1 (0.58) SLC9A1LMNATRPM5ALDH1A1MEN1
SCHEMBL21091367 0.84 SLC9A1 (0.54) SLC9A1MAPTHTR2AHTR2CHTR2B
SCHEMBL28203051 0.84 SLC6A4 (0.42) SLC9A1SLC6A4SLC6A3SLC6A2
SCHEMBL24737783 0.82 SLC9A1 (0.66) SLC9A1LMNATRPM5ALDH1A1MEN1
SCHEMBL29136847 0.82 SLC9A1 (0.66) SLC9A1LMNATRPM5ALDH1A1MEN1
SCHEMBL29136846 0.82 SLC9A1 (0.66) SLC9A1LMNATRPM5ALDH1A1MEN1
SCHEMBL29830097 0.82 SLC9A1 (0.66) SLC9A1LMNATRPM5ALDH1A1MEN1
SCHEMBL22352965 0.82 SLC9A1 (0.48) SLC9A1ALDH1A1TSHRSLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1414810-B1 1,4-DISUBSTITUTED BENZO-FUSED CYCLOALKYL UREA COMPOUNDS BOEHRINGER INGELHEIM PHARMA (US) 2006-08-30 EP disclosed
EP-1414810-A2 1,4-DISUBSTITUTED BENZO-FUSED CYCLOALKYL UREA COMPOUNDS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2004-05-06 EP disclosed
US-6720321-B2 REACTING THE ALDEHYDE WITH CARBETHOXYMETHYLENE TRIPHENYLYPHOSPHORANE TO FORM UNSATURATED ESTER, REACTING ESTER WITH DIAZOMETHANE IN PRESENCE OF PALLADIUM ACETATE TO FORM CYCLOPROPANE CABROXYLIC ESTER, HYDROLYSIS TO FORM ACID BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-04-13 US disclosed
US-20030100608-A1 1,4-disubstituted benzo-fused cycloalkyl urea compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-05-29 US disclosed
WO-2002098869-A2 1,4-DISUBSTITUTED BENZO-FUSED CYCLOALKYL UREA COMPOUNDS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2002-12-12 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-20030100608-A1 1,4-disubstituted benzo-fused cycloalkyl urea compounds MPO, NFKBIA, YBX1 SLC9A1 3011/4885LMNA 1203/4885TRPM5 4074/4885

“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.