SCHEMBL4630231

SCHEMBL4630231

CCCC[CH]N1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 1/20 0.36
F7 P08709 1/20 0.30
F3 P13726 1/20 0.30
TRPV1 Q8NER1 1/20 0.30

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
SCHEMBL2094342 0.98 L3MBTL1 (0.41) TSHRL3MBTL1MEN1KMT2ATDP1
SCHEMBL6722997 0.93 TSHR (0.42) TSHRL3MBTL1MEN1KMT2ATDP1
SCHEMBL6716649 0.91 TSHR (0.46) TSHRL3MBTL1MEN1KMT2ATDP1
SCHEMBL6714009 0.91 L3MBTL1 (0.44) TSHRL3MBTL1MEN1KMT2ATDP1
SCHEMBL6715588 0.89 TSHR (0.44) TSHRL3MBTL1MEN1KMT2ATDP1
SCHEMBL21055025 0.86 TSHR (0.46) TSHRTRPV1
SCHEMBL378009 0.84
SCHEMBL1447629 0.82 ALDH1A1 (0.35) TSHRL3MBTL1MEN1KMT2ATDP1
SCHEMBL1448087 0.82 ALDH1A1 (0.35) TSHRL3MBTL1MEN1KMT2ATDP1
SCHEMBL21925314 0.80 TSHR (0.44) TSHRTRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1919907-A2 HETEROCYCLIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-05-14 EP disclosed
WO-2007026959-A2 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZ0 [B] THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 WO disclosed
EP-1539746-B1 N-SUBSTITUTED-1H-INDOL-5-PROPIONIC ACID COMPOUNDS AS PPAR AGONISTS USEFUL FOR THE TREATMENT OF DIABETES HOFFMANN LA ROCHE (CH) 2006-11-15 EP disclosed
US-20060241149-A1 Chemical compounds ADAMS JERRY L 2006-10-26 US disclosed
EP-1581514-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2005-10-05 EP disclosed
WO-2004069145-A2 ANTICANCER COMPOUNDS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S LABORATORIES LTD. (IN) 2004-08-19 WO disclosed
WO-2004043379-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2004-05-27 WO disclosed
US-5488140-A ANTICONVULSANTS CIBA-GEIGY CORPORATION (US) 1996-01-30 US disclosed
EP-0420806-B1 Phosphonic acids, process for preparation and use as an active pharmaceutical composition CIBA GEIGY AG (CH) 1995-07-05 EP disclosed
US-5294734-A 1-phosphato-4-amino-pent-2-enoic acids and derivatives CIBA-GEIGY CORP. (US) 1994-03-15 US disclosed
EP-0420806-A1 Phosphonic acids, process for preparation and use as an active pharmaceutical composition CIBA-GEIGY AG (CH) 1991-04-03 EP 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-20060241149-A1 Chemical compounds CHKB, MAP3K20, MAP3K6 TSHR 3952/4885L3MBTL1 1870/4885MEN1 3087/4885

“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.