SCHEMBL6448291

SCHEMBL6448291

CC(CO)(CCCCCN(CCCCCC(C)(CO)c1ccccc1)C(N)=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.41
HIF1A Q16665 1/20 0.41
MAPT P10636 2/20 0.39
KMT2A Q03164 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
OPRM1 P35372 2/20 0.35
DRD3 P35462 2/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
CHRM2 P08172 2/20 0.35
CHRM4 P08173 2/20 0.35
CHRM5 P08912 2/20 0.35
CHRM1 P11229 2/20 0.35
CHRM3 P20309 2/20 0.35
LMNA P02545 1/20 0.35
HDAC3 O15379 2/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC2 Q92769 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
ALDH1A1 P00352 2/20 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
SCHEMBL6389157 0.95 CYP2C19 (0.38) CYP2C19HIF1AMAPTKMT2ASIGMAR1
SCHEMBL6509539 0.81 CYP2C19 (0.40) CYP2C19HIF1AMAPTKMT2ASIGMAR1
SCHEMBL6512880 0.80 LMNA (0.39) CYP2C19HIF1AMAPTKMT2ASIGMAR1
SCHEMBL3279785 0.78 CYP2C19 (0.47) CYP2C19HIF1AMAPTKMT2ALMNA
SCHEMBL6395471 0.77 KIF11 (0.47) CYP2C19HIF1AMAPTKMT2ASIGMAR1
SCHEMBL6396071 0.77 FDPS (0.43) SIGMAR1LMNAALDH1A1LTB4R
SCHEMBL6396052 0.77 AOC3 (0.43) KMT2ASIGMAR1LMNAALDH1A1LTB4R
SCHEMBL3280032 0.76 CYP2C19 (0.49) CYP2C19HIF1AMAPTKMT2ASIGMAR1
SCHEMBL6387815 0.76 KIF11 (0.48) CYP2C19HIF1AMAPTKMT2ASIGMAR1
SCHEMBL6515224 0.75 SIGMAR1 (0.38) CYP2C19HIF1AMAPTKMT2ASIGMAR1

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-20050192347-A1 Urea and thiourea compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. 2005-09-01 US claimed

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-20050192347-A1 Urea and thiourea compounds and compositions for cholesterol management and related uses PNLIP, FABP2, GPR119 CYP2C19 1162/4885HIF1A 3981/4885MAPT 185/4885

“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.