SCHEMBL4028301

SCHEMBL4028301

O=C(N1CCCCC1F)N1CCCCC1F

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.37
GAA P10253 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
POLB P06746 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HTT P42858 1/20 0.33
HSD11B1 P28845 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 1/20 0.33
CHRM2 P08172 2/20 0.33
CHRM4 P08173 2/20 0.33
CHRM5 P08912 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33

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
SCHEMBL3109587 0.84 GAA (0.36) HPGDGAACA12CA1CA2
SCHEMBL31122937 0.82 HPGD (0.35) HPGDGAACA12CA1CA2
Hydrochloric Acid SCHEMBL21811983 0.82 GAA (0.35) HPGDGAACA12CA1CA2
SCHEMBL5022847 0.82 CHRM2 (0.45) HPGDGAACHRM2CHRM4CHRM5
SCHEMBL19025613 0.82 GAA (0.35) HPGDGAACA12CA1CA2
SCHEMBL5015028 0.80 CHRM2 (0.46) HPGDGAACHRM2CHRM4CHRM5
SCHEMBL16096027 0.76
SCHEMBL5017013 0.74
SCHEMBL1053950 0.74
SCHEMBL1053952 0.74

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-7572814-B2 3,5-dibenzoyl-4-phenyl-piperidine anti-cancer compounds CYTOKINETICS, INCORPORATED (US) 2009-08-11 US disclosed
US-20070161674-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2007-07-12 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-20070161674-A1 Certain chemical entities, compositions, and methods TP53, VHL, RB1 HPGD 201/4885GAA 350/4885CA12 377/4885

“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.