SCHEMBL23945863

SCHEMBL23945863

CCCCCC(C)C(=O)N1CCC2(CCN(CCCC(C)CCCC)CC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.39
CYP2D6 P10635 3/20 0.36
S1PR1 P21453 2/20 0.36
S1PR3 Q99500 2/20 0.36
S1PR5 Q9H228 2/20 0.36
CA1 P00915 2/20 0.36
USP2 O75604 1/20 0.35
HRH2 P25021 3/20 0.34
HRH1 P35367 3/20 0.34
CHRM3 P20309 1/20 0.34
S1PR4 O95977 1/20 0.33
CCKBR P32239 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL25833674 0.95 CYP2D6 (0.36) ACE2CYP2D6S1PR1S1PR3S1PR5
SCHEMBL23696753 0.90 ACE2 (0.40) ACE2CYP2D6S1PR1S1PR3S1PR5
SCHEMBL25829672 0.89 S1PR1 (0.37) CYP2D6S1PR1S1PR3S1PR5CA1
SCHEMBL25730553 0.89 S1PR1 (0.37) CYP2D6S1PR1S1PR3S1PR5CA1
SCHEMBL25702619 0.89 CYP2D6 (0.36) CYP2D6S1PR1S1PR3S1PR5CA1
SCHEMBL25728828 0.89 USP2 (0.40) ACE2CYP2D6S1PR1S1PR3S1PR5
SCHEMBL25829588 0.89 ACE2 (0.41) ACE2CYP2D6S1PR1S1PR3S1PR5
SCHEMBL26409616 0.88 S1PR1 (0.38) CYP2D6S1PR1S1PR3S1PR5CA1
SCHEMBL25730554 0.86 CYP2D6 (0.43) ACE2CYP2D6S1PR1S1PR3S1PR5
SCHEMBL23695856 0.86 CYP2D6 (0.37) ACE2CYP2D6S1PR1S1PR3S1PR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230135894-A1 MK2 DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-05-04 US disclosed
US-11352350-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2022-06-07 US disclosed
US-20210323952-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2021-10-21 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 (3 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-20230135894-A1 MK2 DEGRADERS AND USES THEREOF MKNK2, MKRN3, DUS2 ACE2 43/4885CYP2D6 474/4885S1PR1 4473/4885
US-11352350-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 ACE2 558/4885CYP2D6 3599/4885S1PR1 2230/4885
US-20210323952-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 ACE2 558/4885CYP2D6 3599/4885S1PR1 2230/4885

“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.