SCHEMBL7577960

SCHEMBL7577960

CCc1nc2ccccc2c(=O)n1CCOc1ccc(C(C)OCCC(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 5/20 0.47
KCNH2 Q12809 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
HDAC6 Q9UBN7 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MAPT P10636 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
LMNA P02545 1/20 0.42
AR P10275 1/20 0.42
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL7577968 0.82 HDAC6 (0.49) ACKR3KCNH2HRH3HDAC6MAPT
SCHEMBL7753836 0.80 KCNH2 (0.46) ACKR3KCNH2HRH3SMN1; SMN2NPC1
SCHEMBL6555815 0.80 PPARG (0.44) ACKR3KCNH2HRH3SMN1; SMN2NPC1
SCHEMBL5935574 0.79 KCNH2 (0.53) ACKR3KCNH2HRH3SMN1; SMN2NPC1
SCHEMBL6555767 0.78 PPARG (0.68)
SCHEMBL5935611 0.77 KCNH2 (0.52) KCNH2HRH3SMN1; SMN2NPC1RAB9A
Lithium SCHEMBL7004819 0.77 PPARG (0.67)
SCHEMBL7006234 0.77 PPARG (0.67)
SCHEMBL7004808 0.77 PPARG (0.67)
SCHEMBL6555809 0.76 PPARA (0.58) KCNH2HRH3MAPTL3MBTL1GAA

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-20020169175-A1 Pharmaceutically acceptable salts of heterocyclic compounds DR. REDDY'S LABORATORIES LTD. 2002-11-14 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-20020169175-A1 Pharmaceutically acceptable salts of heterocyclic compounds CYP3A43, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP2D6 ACKR3 1997/4885KCNH2 3017/4885HRH3 2591/4885

“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.