SCHEMBL4346261

SCHEMBL4346261

CCN(CC(N)=O)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.34
PGR P06401 1/20 0.34
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
HTR2A P28223 1/20 0.34
HRH1 P35367 1/20 0.34
KCNH2 Q12809 1/20 0.34
KDM4E B2RXH2 1/20 0.30
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP3 P08254 1/20 0.30
MMP8 P22894 1/20 0.30

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
SCHEMBL27294800 0.83 ALDH1A1 (0.36) FDPSPGRADRA2AADRA2BHTR2A
SCHEMBL18743799 0.79 KDM4E (0.33) FDPSPGRADRA2AADRA2BHTR2A
SCHEMBL8418588 0.79 CHRNB2 (0.32) FDPSPGRADRA2AADRA2BHTR2A
SCHEMBL868741 0.78 ADRA2A (0.39) FDPSPGRADRA2AADRA2BHTR2A
SCHEMBL19361696 0.76 FDPS (0.34) FDPSPGRADRA2AADRA2BHTR2A
SCHEMBL26239739 0.76 ALDH1A1 (0.33)
SCHEMBL3563819 0.73 TSHR (0.39) FDPSPGRADRA2AADRA2BHTR2A
SCHEMBL18878694 0.73 CHRNB2 (0.32) FDPSPGRADRA2AADRA2BHTR2A
SCHEMBL13851584 0.73 LMNA (0.33)
SCHEMBL29951358 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170334841-A1 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS, INC. 2017-11-23 US disclosed
EP-2470500-B1 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS INC (US) 2017-10-04 EP disclosed
US-9624166-B2 Tetracycline compounds TETRAPHASE PHARMACEUTICALS, INC. (US) 2017-04-18 US disclosed
US-9624166-B2 Tetracycline compounds TETRAPHASE PHARMACEUTICALS, INC. (US) 2017-04-18 US disclosed
US-20120208788-A1 Tetracycline Compounds TETRAPHASE PHARMACEUTICALS, INC. 2012-08-16 US disclosed
US-20120208788-A1 Tetracycline Compounds TETRAPHASE PHARMACEUTICALS, INC. 2012-08-16 US disclosed
EP-2056829-A2 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER Exelixis, Inc. (US) 2009-05-13 EP disclosed
WO-2008021389-A2 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER EXELIXIS, INC. (US) 2008-02-21 WO disclosed
EP-0714885-B1 Preparation process of aminoacetamide derivative EISAI CO LTD (JP) 1999-09-01 EP disclosed
EP-0714885-A2 Preparation process of aminoacetamide derivative EISAI CHEMICAL CO., LTD. (JP) 1996-06-05 EP 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-20170334841-A1 TETRACYCLINE COMPOUNDS TUBB, TUBA1A, TUBA1C FDPS 1256/4885PGR 3843/4885ADRA2A 4535/4885
US-20120208788-A1 Tetracycline Compounds TUBA1A, TUBA1C, TUBB1 FDPS 1357/4885PGR 4029/4885ADRA2A 4501/4885

“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.