SCHEMBL10197879

SCHEMBL10197879

CCN1CCC(C)(C(=O)Nc2cc(-c3ccc4c(c3)CCC(C(=O)NO)C4)ccn2)CC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 12/20 0.41
PIK3C3 Q8NEB9 2/20 0.38
FAAH O00519 2/20 0.37
ABL1 P00519 1/20 0.37
WNT3A P56704 1/20 0.36
RAF1 P04049 1/20 0.36
BRAF P15056 1/20 0.36
MAPK14 Q16539 2/20 0.36
GSK3A P49840 1/20 0.36
MAPK8 P45983 1/20 0.35
MAPK10 P53779 1/20 0.35

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
SCHEMBL345400 0.91 GSK3B (0.43) GSK3BPIK3C3FAAHABL1
SCHEMBL436430 0.89 GHSR (0.42) FAAH
SCHEMBL346726 0.88 GSK3B (0.41) GSK3BPIK3C3FAAHMAPK14
SCHEMBL346196 0.87 GSK3B (0.46) GSK3BPIK3C3FAAHMAPK14
SCHEMBL10197813 0.83 DRD2 (0.39) ABL1
SCHEMBL10247234 0.78 HDAC8 (0.40)
SCHEMBL434456 0.77 BRAF (0.46) FAAHRAF1BRAF
SCHEMBL355960 0.76 FGFR1 (0.39)
SCHEMBL346787 0.74 GRIA2 (0.40) FAAHABL1
SCHEMBL353421 0.73 FGFR1 (0.40)

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
WO-2012012320-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENIUM PHARMACEUTICALS, INC. (US) 2012-01-26 WO disclosed
WO-2012012320-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENIUM PHARMACEUTICALS, INC. (US) 2012-01-26 WO disclosed
US-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-19 US disclosed
US-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-19 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 (2 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-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 GSK3B 81/4885PIK3C3 2088/4885FAAH 1791/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 GSK3B 491/4885PIK3C3 2552/4885FAAH 651/4885

“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.