SCHEMBL5753299

SCHEMBL5753299

CC(=O)N(Cc1cccc2ccccc12)C(Cc1ccc(C(F)(F)F)cc1)C(O)c1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.40
CYP2D6 P10635 2/20 0.40
NR1I2 O75469 1/20 0.40
LMNA P02545 1/20 0.40
ADRA2A P08913 1/20 0.40
ACHE P22303 1/20 0.40
SLC6A2 P23975 1/20 0.40
HTR2A P28223 1/20 0.40
KCNH2 Q12809 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
KMT2A Q03164 1/20 0.37
METAP2 P50579 2/20 0.37
CXCR3 P49682 4/20 0.36
OPRM1 P35372 1/20 0.36
OPRL1 P41146 1/20 0.36
UTS2R Q9UKP6 2/20 0.36
SLC6A9 P48067 1/20 0.36
MCHR1 Q99705 1/20 0.35
METAP1 P53582 1/20 0.35
GAA P10253 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
SCHEMBL5753545 0.81 DRD4 (0.39) SLC6A4CXCR3OPRM1OPRL1UTS2R
SCHEMBL5750842 0.76 KMT2A (0.50) LMNAKMT2AUTS2RMCHR1MAPT
SCHEMBL5751738 0.75 KMT2A (0.41) SLC6A4KMT2AMCHR1GAAMAPT
SCHEMBL5751220 0.71 DRD4 (0.48) LMNAMCHR1GAAMAPTMAPK1
SCHEMBL5752263 0.71 DRD4 (0.48) LMNAMCHR1GAAMAPTMAPK1
SCHEMBL5753177 0.71 NOS3 (0.39) SLC6A9
SCHEMBL5750122 0.70 TRPV1 (0.49) KMT2A
SCHEMBL5753129 0.69 NSD2 (0.43) SLC6A4CYP2D6LMNAKMT2AGAA
SCHEMBL5786685 0.69 PDE2A (0.40) SLC6A4OPRM1OPRL1UTS2RGAA
SCHEMBL8071452 0.68 NOS3 (0.42) LMNAHTT

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 SLC6A4 777/4885CYP2D6 1951/4885NR1I2 220/4885

“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.