SCHEMBL17849877

SCHEMBL17849877

CC1=C(C)NC(=O)CN(C)C1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.44
TOP2A P11388 2/20 0.37
TOP2B Q02880 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PTGS1 P23219 2/20 0.34
LMNA P02545 1/20 0.34
PKM P14618 1/20 0.32
NEK2 P51955 1/20 0.31
CYP1A2 P05177 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
SCHEMBL1101973 0.80
Ethane SCHEMBL27676633 0.78 CRBN (0.55) CRBNTOP2ATOP2BALDH1A1MAPT
SCHEMBL17849896 0.72 TOP2A (0.51) CRBNTOP2ATOP2BALDH1A1MAPT
SCHEMBL18766091 0.72 CRBN (0.35) CRBNTOP2ATOP2BALDH1A1MAPT
SCHEMBL16480076 0.70 CRBN (0.58) CRBNTOP2ATOP2BALDH1A1MAPT
SCHEMBL18561777 0.70
SCHEMBL11683393 0.70
SCHEMBL905165 0.68
SCHEMBL12394131 0.67
SCHEMBL17948964 0.65

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-20170107179-A1 Polycyclic Tetracycline Compounds TETRAPHASE PHARMACEUTICALS, INC. 2017-04-20 US disclosed
US-9371283-B2 Polycyclic tetracycline compounds TETRAPHASE PHARMACEUTICALS, INC. (US) 2016-06-21 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 (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-20170107179-A1 Polycyclic Tetracycline Compounds TET1, TUBA1C, TUBB CRBN 2461/4885TOP2A 122/4885TOP2B 99/4885

“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.