SCHEMBL13607403

SCHEMBL13607403

CCCCCN1CC(OC)C1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GUSB P08236 2/20 0.52
EBP Q15125 1/20 0.52
SIGMAR1 Q99720 1/20 0.52
GLB1 P16278 1/20 0.45
GBA1 P04062 3/20 0.43
GNAI3 P08754 3/20 0.41
GNAO1 P09471 3/20 0.41
GNAI1 P63096 3/20 0.41
GBA2 Q9HCG7 2/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL20002903 0.93 GLB1 (0.52) GUSBEBPSIGMAR1GLB1GBA1
SCHEMBL12911942 0.84 GNAO1 (0.49) GUSBEBPSIGMAR1GNAI3GNAO1
SCHEMBL9974273 0.84
SCHEMBL24261571 0.83 GNAO1 (0.51) GUSBEBPSIGMAR1GNAI3GNAO1
SCHEMBL26511527 0.83 GNAO1 (0.51) GUSBEBPSIGMAR1GNAI3GNAO1
SCHEMBL12912123 0.81 BCHE (0.51) EBPSIGMAR1GNAI3GNAO1GNAI1
SCHEMBL9815993 0.79 GNAO1 (0.56) GNAI3GNAO1GNAI1
SCHEMBL7739926 0.79 GUSB (0.48) GUSBEBPSIGMAR1GLB1GBA1
SCHEMBL14968345 0.78 EBP (0.34) GUSBEBPSIGMAR1GLB1
SCHEMBL14968346 0.78 GBA1 (0.38) GUSBEBPSIGMAR1GLB1GBA1

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-7632833-B2 Anticancer agents MERCK & CO., INC. (US) 2009-12-15 US disclosed
US-20080287414-A1 Mitotic Kinesin Inhibitors MERCK & CO., INC. (US) 2008-11-20 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-20080287414-A1 Mitotic Kinesin Inhibitors KIF5B, KIF2C, KIF18B GUSB 2652/4885EBP 3342/4885SIGMAR1 4468/4885

“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.