SCHEMBL3752895

SCHEMBL3752895

CC(C)(C)N(C(=O)O)C(C)(C)CCn1c(=O)n(Cc2ccccc2)c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CMA1 P23946 4/20 0.41
GAA P10253 2/20 0.41
NPC1 O15118 1/20 0.41
HDAC1 Q13547 2/20 0.40
HDAC11 Q96DB2 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
C5AR1 P21730 1/20 0.40
MELK Q14680 1/20 0.40
APEX1 P27695 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CTSG P08311 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL3762009 0.82 CNR2 (0.45) GAANPC1APEX1
SCHEMBL3765765 0.79 GSK3A (0.48) SMN1; SMN2LMNAKDM4EMAPTL3MBTL1
SCHEMBL5119106 0.79 GAA (0.48) SMN1; SMN2LMNAKDM4EMAPTL3MBTL1
SCHEMBL738179 0.78 MEN1 (0.50) SMN1; SMN2LMNAMAPTMEN1KMT2A
SCHEMBL1853671 0.75 ALDH1A1 (0.56) SMN1; SMN2LMNAMAPTL3MBTL1MEN1
SCHEMBL15826887 0.73 SMN1; SMN2 (0.71) SMN1; SMN2LMNAKDM4EMAPTL3MBTL1
SCHEMBL2987599 0.72 FABP4 (0.58) LMNAKDM4ECMA1APEX1MEN1
SCHEMBL2762171 0.70 APEX1 (0.79) SMN1; SMN2LMNAKDM4EGAANPC1
SCHEMBL2762363 0.70 ALDH1A1 (0.54) SMN1; SMN2LMNAKDM4EMAPTL3MBTL1
SCHEMBL1863037 0.70 KMT2A (0.61) SMN1; SMN2LMNAKDM4EMAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100297028-A1 MEDICAMENT COMBINATIONS FOR THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-25 US disclosed
US-20070203125-A1 Medicament Combinations for the Treatment of Respiratory Diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-08-30 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 (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-20070203125-A1 Medicament Combinations for the Treatment of Respiratory Diseases CHRM1, CHRM2, MTNR1B SMN1; SMN2 693/4885LMNA 245/4885KDM4E 4782/4885
US-20100297028-A1 MEDICAMENT COMBINATIONS FOR THE TREATMENT OF RESPIRATORY DISEASES CHRM1, CHRM2, MTNR1B SMN1; SMN2 693/4885LMNA 245/4885KDM4E 4782/4885

“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.