SCHEMBL12545708

SCHEMBL12545708

[2H]C([2H])([2H])N(C(=O)c1ccc(C(C)C)cc1)C([2H])([2H])[2H]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.46
USP5 P45974 1/20 0.44
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 2/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
HPGD P15428 3/20 0.41
EGFR P00533 1/20 0.40
ERBB2 P04626 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
CYP2D6 P10635 1/20 0.39
HIF1A Q16665 1/20 0.39
MITF O75030 1/20 0.39
MAPT P10636 1/20 0.39
TYR P14679 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
SCHEMBL103818 0.86 SMN1; SMN2 (0.55) CYP2C9USP5HTTSMN1; SMN2ALDH1A1
SCHEMBL10283437 0.81 HPGD (0.50) CYP2C9USP5HTTSMN1; SMN2ALDH1A1
SCHEMBL12545684 0.79 RXRA (0.44) HTTSMN1; SMN2ALDH1A1LMNARAB9A
SCHEMBL21628824 0.77 HPGD (0.76) CYP2C9HTTSMN1; SMN2ALDH1A1MEN1
SCHEMBL25870885 0.76 HPGD (0.54) CYP2C9USP5HTTSMN1; SMN2ALDH1A1
SCHEMBL12547019 0.76 TPMT (0.46) SMN1; SMN2ALDH1A1HPGDHIF1A
SCHEMBL30957415 0.75 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1RAB9ANPC1HPGD
SCHEMBL25870881 0.74 USP5 (0.50) CYP2C9USP5HTTSMN1; SMN2ALDH1A1
SCHEMBL4472102 0.73 HSP90AA1 (0.58) SMN1; SMN2ALDH1A1MEN1KMT2ALMNA
SCHEMBL31003199 0.72 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8642582-B2 Morpholinone compounds as factor IXa inhibitors MERCK SHARP & DOHME CORP. (US) 2014-02-04 US disclosed
US-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-06-09 US disclosed
US-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-03-10 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-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 CYP2C9 832/4885USP5 2033/4885HTT 1888/4885
US-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 CYP2C9 832/4885USP5 2033/4885HTT 1888/4885

“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.