SCHEMBL2296901

SCHEMBL2296901

CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)N2CCOCC2)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.63
HPGD P15428 2/20 0.49
POLB P06746 2/20 0.49
PKM P14618 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
USP2 O75604 1/20 0.48
MEN1 O00255 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
TSHR P16473 1/20 0.46
CTSK P43235 2/20 0.45
BTK Q06187 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CTSD P07339 1/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSS P25774 1/20 0.43
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL1226780 1.00 RECQL (0.63) RECQLHPGDPOLBPKMSMN1; SMN2
SCHEMBL22928829 0.87 HPGD (0.54) RECQLHPGDCTSKBTKCA1
SCHEMBL30397928 0.86 BTK (0.61) RECQLHPGDPOLBSMN1; SMN2USP2
SCHEMBL4711280 0.84 CTSK (0.45) RECQLHPGDCTSKBTKCA1
SCHEMBL4711278 0.84 CTSK (0.45) RECQLHPGDCTSKBTKCA1
SCHEMBL4716377 0.84 CHRNB2 (0.57) RECQLHPGDCTSKBTKCA1
SCHEMBL4716378 0.84 CHRNB2 (0.57) RECQLHPGDCTSKBTKCA1
SCHEMBL4713398 0.84 HPGD (0.51) RECQLHPGDCTSKBTKCA1
SCHEMBL4713400 0.84 HPGD (0.51) RECQLHPGDCTSKBTKCA1
SCHEMBL4760727 0.83 RECQL (0.51) RECQLSMN1; SMN2USP2TSHRCTSK

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-8461328-B2 Tricyclic heterocyclic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2013-06-11 US disclosed
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 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-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF CCNY, CCNA1, CCNA2 RECQL 112/4885HPGD 223/4885POLB 660/4885

“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.