SCHEMBL7583317

SCHEMBL7583317

CC1CCC(O)(C(CC(O)C(N)Cc2cccc(C(C)(C)O)c2)C(N)=O)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.37
CYP2C9 P11712 1/20 0.37
CCR1 P32246 2/20 0.35
REN P00797 1/20 0.35
EPHX1 P07099 5/20 0.34
HTT P42858 1/20 0.33
F10 P00742 1/20 0.32
CYP1A2 P05177 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
DPP4 P27487 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
SLC7A5 Q01650 1/20 0.30
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
SPPL2A Q8TCT8 1/20 0.30
APH1B Q8WW43 1/20 0.30

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
SCHEMBL4065716 0.86 CCR1 (0.43) CYP2C19CYP2C9CCR1RENEPHX1
SCHEMBL7581844 0.86 CCR1 (0.43) CYP2C19CYP2C9CCR1RENEPHX1
SCHEMBL4062026 0.83 EPHX1 (0.46) EPHX1DPP4
SCHEMBL4060231 0.81 CCR1 (0.42) CCR1RENEPHX1SLC7A5
SCHEMBL4072973 0.81 HTT (0.41) CYP2C9RENEPHX1HTTCYP1A2
SCHEMBL4064706 0.80 CCR1 (0.40) CCR1DPP4
SCHEMBL4248926 0.79 EPHX1 (0.37) CCR1EPHX1DPP4
SCHEMBL4063900 0.79 CCR1 (0.37) CCR1EPHX1DPP4DPP8DPP9
SCHEMBL4070844 0.77 CCR1 (0.45) CCR1RENEPHX1HTR2AHTR2C
SCHEMBL4061055 0.77 SLC1A3 (0.36) CCR1DPP4DPP8DPP9

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-20020198207-A1 Novel Hexanoic acid derivatives KATH JOHN CHARLES (US) 2002-12-26 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-20020198207-A1 Novel Hexanoic acid derivatives HCAR3, HCAR1, FFAR1 CYP2C19 3140/4885CYP2C9 1975/4885CCR1 21/4885

“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.