SCHEMBL7577968

SCHEMBL7577968

CCc1nc2ccccc2c(=O)n1CCOc1ccc(CCOCCC(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 9/20 0.49
MAPT P10636 2/20 0.47
KCNH2 Q12809 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
ACKR3 P25106 3/20 0.46
HDAC1 Q13547 3/20 0.45
HDAC11 Q96DB2 3/20 0.45
HDAC8 Q9BY41 3/20 0.45
RXFP1 Q9HBX9 3/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ATM Q13315 1/20 0.44
FFAR1 O14842 1/20 0.44
HDAC2 Q92769 2/20 0.44
LMNA P02545 1/20 0.44
APP P05067 1/20 0.43

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
SCHEMBL7577960 0.82 ACKR3 (0.47) HDAC6MAPTKCNH2HRH3ACKR3
SCHEMBL5935574 0.80 KCNH2 (0.53) MAPTKCNH2HRH3ACKR3RXFP1
SCHEMBL6555820 0.79 KCNH2 (0.46) HDAC6MAPTKCNH2HRH3ACKR3
SCHEMBL6556054 0.79 PPARG (0.55) MAPTKCNH2HRH3ACKR3
SCHEMBL6555767 0.79 PPARG (0.68)
Lithium Ion SCHEMBL7004812 0.78 PPARG (0.59) MAPT
SCHEMBL7006236 0.78 PPARG (0.59) MAPT
SCHEMBL5935611 0.78 KCNH2 (0.52) MAPTKCNH2HRH3RXFP1MEN1
Lithium SCHEMBL7004819 0.78 PPARG (0.67)
SCHEMBL7006234 0.78 PPARG (0.67)

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 HDAC6 76/4885MAPT 35/4885KCNH2 3017/4885

“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.