SCHEMBL3502391

SCHEMBL3502391

CC1CCN(C2CCN(C(=O)O)C(C(C)(C)C)C2)CC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.42
POLB P06746 1/20 0.42
CYP2D6 P10635 1/20 0.35
HTT P42858 1/20 0.35
ALDH1A1 P00352 4/20 0.34
ALOX15 P16050 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
EBP Q15125 1/20 0.31
DHCR7 Q9UBM7 1/20 0.31
ACHE P22303 1/20 0.30
NPC1 O15118 1/20 0.30

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
SCHEMBL28524745 0.84 RIPK1 (0.33) POLBHTTALDH1A1MEN1KMT2A
SCHEMBL5229075 0.82 OPRL1 (0.31)
SCHEMBL23724095 0.82 TACR1 (0.32)
SCHEMBL3504535 0.78 SMN1; SMN2 (0.30)
SCHEMBL4539066 0.77 MC4R (0.31)
SCHEMBL20702359 0.74 RIPK1 (0.37) CYP2D6
SCHEMBL75974 0.74 RIPK1 (0.33)
SCHEMBL16824254 0.73 SLC18A3 (0.43)
SCHEMBL18949269 0.73 KDM4E (0.56) KDM4EPOLBCYP2D6HTTALDH1A1
SCHEMBL22798393 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100216779-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2010-08-26 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-20100216779-A1 Imidazopyridine Kinase Inhibitors ABL1, MAP3K19, MAP3K5 KDM4E 790/4885POLB 1938/4885CYP2D6 1612/4885

“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.