SCHEMBL7718358

SCHEMBL7718358

CC(C)(C)C1CN(c2nccnc2OCCOc2cccc(CN3CCOCC3)c2)CCN1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
HTT P42858 2/20 0.43
HRH3 Q9Y5N1 3/20 0.40
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
FAAH O00519 3/20 0.39
GAA P10253 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
ALOX12 P18054 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MMP1 P03956 1/20 0.38
MMP9 P14780 1/20 0.38
MMP13 P45452 1/20 0.38
ADAM17 P78536 1/20 0.38
SLC16A3 O15427 1/20 0.37
SLC16A1 P53985 1/20 0.37
MCTS1 Q9ULC4 1/20 0.37

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
SCHEMBL4145727 0.85 KDM4E (0.47) KDM4EALDH1A1HPGDHTTROCK2
SCHEMBL7718355 0.84 SLC6A7 (0.38) SMN1; SMN2
SCHEMBL7718360 0.81 GPR119 (0.44) KDM4EALDH1A1HPGDHTTROCK2
SCHEMBL4003883 0.76 KDM4E (0.48) KDM4EALDH1A1HPGDHTTHRH3
SCHEMBL29246029 0.69 KDM4E (0.39) KDM4EALDH1A1HPGDHRH3
SCHEMBL4317148 0.69 KDM4E (0.41) KDM4EALDH1A1GAATSHRSMN1; SMN2
SCHEMBL4328938 0.68 PDGFRB (0.47) KDM4EALDH1A1HPGDGAATSHR
SCHEMBL4001244 0.68 KDM4E (0.43) KDM4EALDH1A1HPGDHTTGAA
SCHEMBL4002342 0.67 KDM4E (0.45) KDM4EALDH1A1HPGDHTTGAA
SCHEMBL7422613 0.67 ALDH1A1 (0.65) KDM4EALDH1A1HPGDHTTHRH3

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-20020103204-A1 Novel compounds and their use PROXIMAGEN NEUROSCIENCE PLC (GB) 2002-08-01 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-20020103204-A1 Novel compounds and their use HTR2C, HTR1A, HTR1B KDM4E 2610/4885ALDH1A1 500/4885HPGD 3097/4885

“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.