SCHEMBL94939

SCHEMBL94939

[CH2]CCCN(CCC)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
HTR7 P34969 1/20 0.40
CNR2 P34972 2/20 0.39
NPSR1 Q6W5P4 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TP53 P04637 2/20 0.37
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
GFER P55789 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
CHRM2 P08172 1/20 0.36
HTR1A P08908 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
SCHEMBL7287489 0.92 CNR2 (0.43) TSHRCNR2NPSR1TP53MEN1
SCHEMBL7285412 0.88 TSHR (0.44) TSHRHTR7CNR2NPSR1L3MBTL1
SCHEMBL95426 0.87 CNR2 (0.43) TSHRCNR2NPSR1TP53MEN1
SCHEMBL96157 0.86 TSHR (0.52) TSHRCNR2MEN1HTTKMT2A
SCHEMBL1868440 0.86 CNR2 (0.47) TSHRHTR7CNR2NPSR1TP53
SCHEMBL411733 0.85 TSHR (0.52) TSHRHTR7CNR2NPSR1L3MBTL1
SCHEMBL95379 0.85 NPC1 (0.46) TSHRCNR2HTTKCNH2ALDH1A1
SCHEMBL7286181 0.85 NPC1 (0.46) TSHRCNR2HTTKCNH2ALDH1A1
SCHEMBL95447 0.85 NPC1 (0.46) TSHRCNR2HTTKCNH2ALDH1A1
SCHEMBL20411975 0.84 NPC1 (0.47) TSHRHTR7CNR2NPSR1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362252-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-29 US disclosed
EP-1797082-B1 CARBOSTYRIL COMPOUND OTSUKA PHARMA CO LTD (JP) 2012-08-29 EP disclosed
EP-2426128-A1 Carbostyril compound Otsuka Pharmaceutical Co., Limited (JP) 2012-03-07 EP disclosed
US-20100261705-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2010-10-14 US disclosed
US-7777038-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-17 US disclosed
US-20090326008-A1 NF-kappa B Inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 US disclosed
EP-2043644-A1 NF- B INHIBITOR Otsuka Pharmaceutical Co., Ltd. (JP) 2009-04-08 EP disclosed
WO-2007119600-A9 CARBAZOLE COMPOUND OTSUKA PHARMA CO LTD (JP) 2008-05-02 WO disclosed
WO-2008010601-A1 NF- ϰB INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-01-24 WO disclosed
US-20070179173-A1 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 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 (3 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-20090326008-A1 NF-kappa B Inhibitor NFKBIA, NFKB2, IKBKB TSHR 3439/4885HTR7 4650/4885CNR2 3116/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 TSHR 110/4885HTR7 4219/4885CNR2 562/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 TSHR 110/4885HTR7 4219/4885CNR2 562/4885

“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.