SCHEMBL29310082

SCHEMBL29310082

CCC1CN(C)CCN1c1ccc(C(C)C)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCKR Q14397 1/20 0.37
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ADAMTS5 Q9UNA0 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
HPGD P15428 1/20 0.35
MAPT P10636 2/20 0.34
TRPV4 Q9HBA0 1/20 0.34
ACHE P22303 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MGLL Q99685 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL29310080 0.84 MEN1 (0.34) HTR2AHTR2CL3MBTL1HRH3HPGD
SCHEMBL21590237 0.81 HRH3 (0.48) GCKRADAMTS5HRH3KDM4EALDH1A1
SCHEMBL29310074 0.80 L3MBTL1 (0.41) HTR2AHTR2CL3MBTL1HRH3HPGD
SCHEMBL25839399 0.80 L3MBTL1 (0.41) HTR2AHTR2CL3MBTL1HRH3HPGD
SCHEMBL29310070 0.80 L3MBTL1 (0.41) HTR2AHTR2CL3MBTL1HRH3HPGD
SCHEMBL188824 0.71 GFER (0.46) ADAMTS5MAPTKMT2AKDM4EALDH1A1
SCHEMBL189033 0.71 GFER (0.46) ADAMTS5MAPTKMT2AKDM4EALDH1A1
SCHEMBL22471285 0.71 GFER (0.46) ADAMTS5MAPTKMT2AKDM4EALDH1A1
SCHEMBL14934671 0.71 MMP14 (0.45) L3MBTL1ADAMTS5GAA
SCHEMBL27372181 0.69 MAPT (0.41) GCKRL3MBTL1ADAMTS5HRH3MAPT

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
US-20240228459-A1 WEE1 INHIBITORS AND USES THEREOF BOUNDLESS BIO, INC. 2024-07-11 US disclosed
US-20240228459-A1 WEE1 INHIBITORS AND USES THEREOF BOUNDLESS BIO, INC. 2024-07-11 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-20240228459-A1 WEE1 INHIBITORS AND USES THEREOF WEE1, WEE2, DCLRE1B GCKR 3436/4885HTR2A 4557/4885HTR2C 4383/4885

“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.