SCHEMBL25829684

SCHEMBL25829684

CCc1ccc(N2CCC(CC(C)C)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
RORC P51449 4/20 0.41
MAPT P10636 4/20 0.41
HRH3 Q9Y5N1 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
THRB P10828 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
GAA P10253 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
ALOX12 P18054 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
GFER P55789 1/20 0.39

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
SCHEMBL25109335 0.87 MAOA (0.43) RORCMAPTHRH3SMN1; SMN2ALOX15
SCHEMBL22849709 0.87 ALDH1A1 (0.43) RORCHRH3ALDH1A1TSHRL3MBTL1
SCHEMBL22856542 0.86 CHRM4 (0.42) KDM4ENPC1RAB9ARORCMAPT
SCHEMBL25594187 0.84 RORC (0.38) RORCHRH3SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL13169263 0.84 KDM4E (0.49) KDM4ENPC1RAB9ARORCMAPT
SCHEMBL22873293 0.83 KDM4E (0.47) KDM4ENPC1RAB9AMAPTSMN1; SMN2
SCHEMBL20231198 0.83 ADRB1 (0.47) NPC1RAB9ARORCMAPTHRH3
SCHEMBL22537523 0.82 USP2 (0.54) KDM4ENPC1RAB9AMAPTHRH3
SCHEMBL22794821 0.81 KDM4E (0.46) KDM4ENPC1RAB9AMAPTHRH3
SCHEMBL23807042 0.80 RORC (0.40) NPC1RAB9ARORCHRH3SMN1; SMN2

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
WO-2023192586-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2023-10-05 WO disclosed
US-20230219945-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-07-13 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-20230219945-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 KDM4E 190/4885NPC1 3159/4885RAB9A 4270/4885

“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.