SCHEMBL5752002

SCHEMBL5752002

O=C(CCCc1ccccc1)NC(Cc1cccc(C(F)(F)F)c1)C(O)c1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.48
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
BCHE P06276 2/20 0.45
LMNA P02545 2/20 0.45
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
SLC6A9 P48067 1/20 0.43
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
SMPD2 O60906 1/20 0.41

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
SCHEMBL5755551 0.90 LMNA (0.49) BACE1CYP1A2CYP3A4TSHRCYP2C19
SCHEMBL5751792 0.90 LMNA (0.49) BACE1CYP1A2CYP3A4TSHRCYP2C19
SCHEMBL5751263 0.87 LMNA (0.46) BACE1CYP1A2CYP3A4TSHRCYP2C19
SCHEMBL5752879 0.86 LMNA (0.56) LMNAHDAC1HDAC8KMT2ASMN1; SMN2
SCHEMBL5753673 0.84 FFAR2 (0.52) BACE1CYP1A2CYP3A4TSHRCYP2C19
SCHEMBL5752290 0.83 LMNA (0.46) LMNAHDAC1HDAC8KMT2ASMN1; SMN2
SCHEMBL5750001 0.80 GAA (0.42) CYP1A2CYP3A4TSHRCYP2C19LMNA
SCHEMBL5749123 0.79 ALDH1A1 (0.59) CYP1A2CYP3A4CYP2D6CYP2C19LMNA
SCHEMBL5753525 0.78 FFAR1 (0.51) LMNAFFAR1FFAR4RAB9A
SCHEMBL5752112 0.78 DRD4 (0.50) BACE1BCHEPIN1

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 BACE1 835/4885TP53 4608/4885CYP1A2 853/4885

“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.