SCHEMBL94752

SCHEMBL94752

[CH2]CCCCN(c1ccccc1)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.44
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SIGMAR1 Q99720 5/20 0.34
NR1I2 O75469 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
DRD1 P21728 1/20 0.33
TBXA2R P21731 1/20 0.33
AGTR1 P30556 1/20 0.33
PTGIR P43119 1/20 0.33
PDE4D Q08499 1/20 0.33
PTGDR Q13258 1/20 0.33
HTR2A P28223 1/20 0.32
HRH1 P35367 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
SCHEMBL2002725 0.86 TAAR1 (0.47) TAAR1ALDH1A1LMNATP53SMN1; SMN2
SCHEMBL95222 0.83 SIGMAR1 (0.36) TAAR1ALDH1A1SIGMAR1DRD1
SCHEMBL13503172 0.81 TAAR1 (0.46) TAAR1ALDH1A1TP53SMN1; SMN2NR1I2
SCHEMBL9521674 0.80 SIGMAR1 (0.58) SIGMAR1DRD1
SCHEMBL26029395 0.79 TAAR1 (0.45) TAAR1ALDH1A1LMNATP53SMN1; SMN2
SCHEMBL27840492 0.79 TAAR1 (0.49) TAAR1ALDH1A1LMNATP53SMN1; SMN2
SCHEMBL26002714 0.79 TAAR1 (0.45) TAAR1ALDH1A1LMNATP53SMN1; SMN2
SCHEMBL94693 0.78 TAAR1 (0.46) TAAR1ALDH1A1LMNATP53SMN1; SMN2
SCHEMBL8959902 0.76 TAAR1 (0.49) TAAR1ALDH1A1LMNATP53SMN1; SMN2
SCHEMBL15226978 0.75 TAAR1 (0.47) TAAR1ALDH1A1LMNATP53SMN1; SMN2

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 8 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
WO-2007119600-A1 CARBAZOLE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-10-25 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 TAAR1 3793/4885ALDH1A1 2948/4885LMNA 3740/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 TAAR1 2154/4885ALDH1A1 2458/4885LMNA 4860/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 TAAR1 2154/4885ALDH1A1 2458/4885LMNA 4860/4885

“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.