SCHEMBL3731796

SCHEMBL3731796

CC(C)(C)N1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 1/20 0.43
HPGD P15428 3/20 0.43
ALOX15 P16050 1/20 0.43
P4HB P07237 1/20 0.40
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
FASN P49327 1/20 0.39
KCNH2 Q12809 1/20 0.39
RBP4 P02753 1/20 0.39
F2 P00734 1/20 0.39
F11 P03951 1/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
POLB P06746 1/20 0.38

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
SCHEMBL578389 0.85 POLB (0.55) MEN1KMT2AHPGDALOX15POLB
SCHEMBL1804167 0.85 P4HB (0.45) ALDH1A1MEN1KMT2ASMN1; SMN2HTT
SCHEMBL12621028 0.85 POLB (0.55) MEN1KMT2AHPGDALOX15POLB
SCHEMBL24692234 0.85 HPGD (0.51) ALDH1A1MEN1KMT2ASMN1; SMN2HTT
SCHEMBL2235445 0.85 HPGD (0.56) ALDH1A1MEN1KMT2ASMN1; SMN2HTT
Hydrochloric Acid SCHEMBL2209650 0.84 POLB (0.54) MEN1KMT2AHPGDALOX15POLB
SCHEMBL722982 0.84 KMT2A (0.57) ALDH1A1MEN1KMT2ASMN1; SMN2HTT
SCHEMBL2239321 0.83 HPGD (0.59) ALDH1A1MEN1KMT2AHPGDCA1
SCHEMBL951497 0.82 PHGDH (0.55) ALDH1A1KMT2ASMN1; SMN2HTTHPGD
SCHEMBL2967724 0.82 ALDH1A1 (0.47) ALDH1A1KMT2ASMN1; SMN2HPGDP4HB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2242742-B1 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 2015-12-02 EP disclosed
US-8343966-B2 Organic compounds NOVARTIS AG (CH) 2013-01-01 US disclosed
EP-2242742-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2010-10-27 EP disclosed
US-20090215776-A1 Organic compounds ADCOCK CLAIRE 2009-08-27 US disclosed
WO-2009087212-A2 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 2009-07-16 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 (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-20090215776-A1 Organic compounds REN, RXFP1, MYLK ALDH1A1 884/4885MEN1 2582/4885KMT2A 3277/4885

“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.