SCHEMBL25829672

SCHEMBL25829672

CCCCCCC(C)C(=O)N1CCC2(CCN(CCCC(CC)CCCC)CC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.37
S1PR3 Q99500 2/20 0.37
S1PR5 Q9H228 2/20 0.37
USP2 O75604 1/20 0.36
CYP2D6 P10635 1/20 0.34
CHRM3 P20309 1/20 0.34
CA2 P00918 2/20 0.34
S1PR4 O95977 1/20 0.34
CA1 P00915 2/20 0.33
HRH2 P25021 1/20 0.33
HRH1 P35367 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.32

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
SCHEMBL25730553 0.93 S1PR1 (0.37) S1PR1S1PR3S1PR5USP2CYP2D6
SCHEMBL26409616 0.92 S1PR1 (0.38) S1PR1S1PR3S1PR5CYP2D6CHRM3
SCHEMBL25924025 0.92 USP2 (0.38) S1PR1S1PR3S1PR5USP2CYP2D6
SCHEMBL25702619 0.91 CYP2D6 (0.36) S1PR1S1PR3S1PR5USP2CYP2D6
SCHEMBL23945863 0.89 ACE2 (0.39) S1PR1S1PR3S1PR5USP2CYP2D6
SCHEMBL23807293 0.87 CYP2D6 (0.36) S1PR1S1PR3S1PR5USP2CYP2D6
SCHEMBL23806518 0.87 CYP2D6 (0.42) CYP2D6CA1OPRM1OPRL1
SCHEMBL25833674 0.84 CYP2D6 (0.36) S1PR1S1PR3S1PR5USP2CYP2D6
SCHEMBL25480360 0.84 USP2 (0.41) S1PR1S1PR3S1PR5USP2CHRM3
SCHEMBL25654330 0.84 S1PR1 (0.37) S1PR1S1PR3S1PR5USP2CHRM3

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-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 S1PR1 2230/4885S1PR3 2064/4885S1PR5 2251/4885

“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.