SCHEMBL5752913

SCHEMBL5752913

CN1C(=O)OC(c2ccc(F)cc2)C1Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 7/20 0.43
KCNN4 O15554 1/20 0.39
TACR1 P25103 2/20 0.35
CCR3 P51677 1/20 0.35
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
FADS1 O60427 2/20 0.35
ESR1 P03372 1/20 0.35

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
SCHEMBL5751613 0.82 KCNN4 (0.39) MDM2KCNN4CCR3
SCHEMBL6579476 0.80 KCNN4 (0.40) KCNN4TACR1
SCHEMBL5751768 0.76 PTGDR2 (0.39) KCNN4
SCHEMBL5752398 0.72 MDM2 (0.41) MDM2TACR1
SCHEMBL5752541 0.72 MDM2 (0.41) MDM2TACR1
SCHEMBL5752174 0.71 CES2 (0.37)
SCHEMBL15744030 0.70 FADS1 (0.53) MDM2FADS1
SCHEMBL15744028 0.70 FADS1 (0.53) MDM2FADS1
SCHEMBL20794196 0.70 FADS1 (0.53) MDM2FADS1
SCHEMBL15744012 0.69 CETP (0.46) KCNN4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6982348-B2 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-03 US disclosed
US-20040127574-A1 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-07-01 US disclosed
EP-1362846-A1 AMINOETHANOL DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-11-19 EP 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-20040127574-A1 Aminoethanol derivatives CETP, LCAT, MTTP MDM2 3868/4885KCNN4 4807/4885TACR1 2291/4885

“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.