SCHEMBL4513610

SCHEMBL4513610

CC1(N2CCC(Cc3ccc(C(F)(F)F)cc3Cl)C2=O)CCC(O)CC1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.37
DAO P14920 1/20 0.36
HTR2A P28223 2/20 0.36
HSD11B1 P28845 1/20 0.36
P2RX7 Q99572 1/20 0.36
MGLL Q99685 2/20 0.35
CYP26A1 O43174 1/20 0.35
MRGPRX4 Q96LA9 4/20 0.35
FAAH O00519 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
PLA2G7 Q13093 1/20 0.34
ABHD6 Q9BV23 1/20 0.34

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
SCHEMBL2988985 0.87 P2RX7 (0.40) P2RX7
SCHEMBL4508784 0.80 L3MBTL1 (0.38) ALDH1A1KMT2A
SCHEMBL4508927 0.79 NR1H2 (0.35)
SCHEMBL4515453 0.78 S1PR1 (0.38) HTR2AP2RX7
SCHEMBL5541263 0.78 PIM1 (0.38) FFAR4DAOHTR2AHSD11B1P2RX7
SCHEMBL4513747 0.76 MMP13 (0.38) P2RX7MAPT
SCHEMBL2993186 0.76 P2RX7 (0.40) P2RX7ALDH1A1KMT2A
SCHEMBL4510565 0.76 S1PR1 (0.39) FFAR4
SCHEMBL2989024 0.75 P2RX7 (0.41) P2RX7
SCHEMBL2994583 0.74 P2RX7 (0.36) P2RX7ALDH1A1KMT2A

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-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 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-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes HSD11B1, HSD17B1, HSD11B2 FFAR4 1012/4885DAO 1576/4885HTR2A 4228/4885

“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.