SCHEMBL16615375

SCHEMBL16615375

O=C(NC1CCC(N2CCC3(CC2)COC3)CC1)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
GAA P10253 1/20 0.56
TSHR P16473 1/20 0.54
DPP4 P27487 7/20 0.50
DPP7 Q9UHL4 7/20 0.50
KCNH2 Q12809 4/20 0.50
CTSL P07711 1/20 0.49
CTSB P07858 1/20 0.49
CTSK P43235 1/20 0.49
EPHX1 P07099 1/20 0.48
KDM1A O60341 1/20 0.46
MAOB P27338 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD11B1 P28845 1/20 0.43

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
SCHEMBL16604769 1.00 ALDH1A1 (0.56) ALDH1A1GAATSHRDPP4DPP7
SCHEMBL15873777 0.91 ALDH1A1 (0.60) ALDH1A1GAATSHRDPP4DPP7
SCHEMBL15873821 0.91 ALDH1A1 (0.60) ALDH1A1GAATSHRDPP4DPP7
SCHEMBL30234010 0.89 ALDH1A1 (0.58) ALDH1A1GAATSHRDPP4DPP7
SCHEMBL17209369 0.86 ALDH1A1 (0.59) ALDH1A1GAATSHRDPP4DPP7
SCHEMBL22228031 0.85 ALDH1A1 (0.43) ALDH1A1GAATSHRDPP4DPP7
SCHEMBL22228032 0.85 ALDH1A1 (0.43) ALDH1A1GAATSHRDPP4DPP7
SCHEMBL16604750 0.82 ALDH1A1 (0.63) ALDH1A1GAATSHRDPP4DPP7
SCHEMBL16604745 0.82 ALDH1A1 (0.63) ALDH1A1GAATSHRDPP4DPP7
SCHEMBL854004 0.81 ALDH1A1 (0.62) ALDH1A1GAATSHRDPP4DPP7

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-20150329498-A1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS, INC. 2015-11-19 US disclosed
WO-2015048281-A1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS, INC. (US) 2015-04-02 WO 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-20150329498-A1 IRAK INHIBITORS AND USES THEREOF IRAK2, IRAK3, IRAK1 ALDH1A1 3351/4885GAA 1372/4885TSHR 4389/4885

“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.