SCHEMBL13600604

SCHEMBL13600604

CN1CCN(CCCC(C)(C)C)CCC1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.39
BRD2 P25440 1/20 0.39
PIK3CD O00329 1/20 0.39
POLB P06746 1/20 0.34
PKM P14618 1/20 0.33
CHRM4 P08173 3/20 0.33
CHRM5 P08912 3/20 0.33
CHRM3 P20309 3/20 0.33
CHRM2 P08172 2/20 0.33
CHRM1 P11229 2/20 0.33
DRD2 P14416 2/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
HTR1A P08908 2/20 0.31
NPC1 O15118 2/20 0.31
HTR2A P28223 1/20 0.31
RAB9A P51151 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL15697002 0.89 BRD4 (0.42) BRD4BRD2PIK3CDPOLBNPC1
SCHEMBL13600601 0.84 PIK3CD (0.51) BRD4BRD2PIK3CDCHRM4CHRM5
SCHEMBL13607427 0.80 DRD2 (0.47) BRD4BRD2PIK3CDPOLBPKM
SCHEMBL24193473 0.79 CHRM4 (0.39) CHRM4CHRM5CHRM3CHRM2CHRM1
SCHEMBL16750356 0.79 CHRM4 (0.39) CHRM4CHRM5CHRM3CHRM2CHRM1
SCHEMBL13178389 0.79 GNAI3 (0.52) BRD4BRD2PIK3CDPOLBPKM
SCHEMBL21673746 0.75 CHRM4 (0.37) CHRM4CHRM5CHRM3CHRM2CHRM1
SCHEMBL13044257 0.75 CHRM4 (0.37) CHRM4CHRM5CHRM3CHRM2CHRM1
SCHEMBL13600646 0.75 PIK3CD (0.49) BRD4BRD2PIK3CDPOLBPKM
SCHEMBL15425524 0.74 GAA (0.38) PIK3CDPOLBCHRM4CHRM5CHRM3

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 BRD4 707/4885BRD2 1639/4885PIK3CD 610/4885

“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.