SCHEMBL29328262

SCHEMBL29328262

CCC(C)NC(=O)CN1CC[C@H](CCCOC)C1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 4/20 0.37
HTT P42858 1/20 0.36
GAA P10253 3/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TLR9 Q9NR96 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM3 P20309 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
POLB P06746 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
SCHEMBL26742799 0.89 HTT (0.46) HTR4HTTGAACYP2C19ALDH1A1
SCHEMBL29328161 0.84 HTT (0.37) HTTGAACYP2C9CYP2C19TLR9
SCHEMBL29328227 0.83 CHRM5 (0.43) HTTGAACYP2C19ALDH1A1TDP1
SCHEMBL29328253 0.82 ALDH1A1 (0.38) HTR4ALDH1A1TDP1KDM4ECYP3A4
SCHEMBL29328061 0.81 CHRM5 (0.49) HTR4HTTGAACYP2C19ALDH1A1
SCHEMBL29324576 0.79 SIGMAR1 (0.38) HTTGAACYP2C9CYP2C19TLR9
SCHEMBL26743067 0.78 HTT (0.45) HTTGAACYP2C19ALDH1A1TDP1
SCHEMBL26750619 0.78 HTT (0.45) HTTGAACYP2C19ALDH1A1TDP1
SCHEMBL29316594 0.78 HTT (0.45) HTTGAACYP2C19ALDH1A1TDP1
SCHEMBL29324226 0.78 CHRM5 (0.48) HTR4HTTGAACYP2C19ALDH1A1

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-20240238423-A9 TETRAHYDROISOQUINOLINE HETEROBIFUNCTIONAL BCL-XL DEGRADERS Treeline Biosciences, Inc. 2024-07-18 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-20240238423-A9 TETRAHYDROISOQUINOLINE HETEROBIFUNCTIONAL BCL-XL DEGRADERS BCL2A1, BCL2L1, BCL3 HTR4 4045/4885HTT 889/4885GAA 597/4885

“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.