SCHEMBL1551249

SCHEMBL1551249

CC1(CCCNC(=O)OCc2ccccc2)CCC(N)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.53
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KEAP1 Q14145 3/20 0.48
NFE2L2 Q16236 3/20 0.48
TGM2 P21980 1/20 0.48
DPP8 Q6V1X1 3/20 0.47
DPP7 Q9UHL4 3/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.45
DPP4 P27487 2/20 0.45
DPP9 Q86TI2 2/20 0.45
MAPT P10636 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TPSAB1 Q15661 1/20 0.43
TPSD1 Q9BZJ3 1/20 0.43
TPSG1 Q9NRR2 1/20 0.43
GAA P10253 1/20 0.43
IDO1 P14902 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
SCHEMBL30772669 0.79 ALDH1A1 (0.50) HTTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL25568628 0.79 HTT (0.62) HTTLMNASMN1; SMN2KEAP1NFE2L2
SCHEMBL25568226 0.78 CPB1 (0.46) HTTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL21997088 0.77 HTT (0.55) HTTLMNASMN1; SMN2KEAP1NFE2L2
SCHEMBL3940773 0.76 LMNA (0.56) HTTLMNASMN1; SMN2KEAP1NFE2L2
SCHEMBL3940775 0.76 LMNA (0.56) HTTLMNASMN1; SMN2KEAP1NFE2L2
SCHEMBL18254066 0.75 HTT (0.81) HTTLMNASMN1; SMN2KEAP1NFE2L2
SCHEMBL9874334 0.74 HTT (0.79) HTTLMNASMN1; SMN2KEAP1NFE2L2
SCHEMBL15346534 0.74 HTT (0.79) HTTLMNASMN1; SMN2KEAP1NFE2L2
SCHEMBL9340146 0.74 HTT (0.79) HTTLMNASMN1; SMN2KEAP1NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2313374-B1 6-SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES SANOFI SA (FR) 2013-09-18 EP disclosed
US-20130109715-A1 6-Substituted isoquinolines and isoquinolinones SANOFI (FR) 2013-05-02 US disclosed
US-8399482-B2 6-substituted isoquinolines and isoquinolinones SANOFI (FR) 2013-03-19 US disclosed
US-20110190339-A1 6-SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES SANOFI-AVENTIS (FR) 2011-08-04 US disclosed
EP-2313374-A1 6-SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES Sanofi-Aventis (FR) 2011-04-27 EP disclosed
WO-2009156099-A1 6-SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES SANOFI-AVENTIS (FR) 2009-12-30 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 (2 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-20110190339-A1 6-SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES MYLK2, MYLK, MYLK3 HTT 3169/4885LMNA 1291/4885SMN1; SMN2 936/4885
US-20130109715-A1 6-Substituted isoquinolines and isoquinolinones MYLK2, MYLK, MYLK3 HTT 2901/4885LMNA 1392/4885SMN1; SMN2 1105/4885

“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.