SCHEMBL25728482

SCHEMBL25728482

CCC(C)NCCc1ccc(C(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.49
HTT P42858 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LMNA P02545 5/20 0.46
ADRB2 P07550 3/20 0.46
HIF1A Q16665 3/20 0.46
SLC6A2 P23975 3/20 0.46
SLC6A4 P31645 3/20 0.46
OPRM1 P35372 3/20 0.46
OPRK1 P41145 3/20 0.46
CYP2D6 P10635 2/20 0.46
ADRB1 P08588 2/20 0.46
ADRA1A P35348 2/20 0.46
SLC6A3 Q01959 2/20 0.46
GALR3 O60755 1/20 0.46
ADRB3 P13945 1/20 0.45
TMEM97 Q5BJF2 1/20 0.45
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPK1 P28482 2/20 0.42

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
SCHEMBL21038217 0.83 SIGMAR1 (0.50) SIGMAR1HTTSMN1; SMN2LMNAADRB2
SCHEMBL15031576 0.82 LMNA (0.50) SIGMAR1HTTSMN1; SMN2LMNAADRB2
SCHEMBL18435350 0.81 SIGMAR1 (0.72) SIGMAR1SMN1; SMN2OPRK1
SCHEMBL22292106 0.79 SMN1; SMN2 (0.76) SIGMAR1HTTSMN1; SMN2ALDH1A1CA12
SCHEMBL22456025 0.78 SIGMAR1 (0.49) SIGMAR1HTTSMN1; SMN2LMNAADRB2
SCHEMBL3356678 0.77 SIGMAR1 (0.45) SIGMAR1HTTSMN1; SMN2LMNAADRB2
SCHEMBL2909949 0.76 TAAR1 (0.63) SIGMAR1SMN1; SMN2LMNAADRB2HIF1A
SCHEMBL10729588 0.75 IDO1 (0.56) HTTLMNAALDH1A1L3MBTL1
SCHEMBL25706976 0.74 SIGMAR1 (0.41) SIGMAR1HTTSMN1; SMN2LMNAADRB2
SCHEMBL597719 0.73 IDO1 (0.50) SIGMAR1ALDH1A1L3MBTL1CA2

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-20230144292-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-05-11 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-20230144292-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 SIGMAR1 3199/4885HTT 2464/4885SMN1; SMN2 2647/4885

“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.