SCHEMBL5751627

SCHEMBL5751627

O=C(CCC1CCCC1)NC(Cc1ccc(C(F)(F)F)cc1)C(O)c1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
UGCG Q16739 2/20 0.46
FFAR2 O15552 1/20 0.43
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KLK7 P49862 2/20 0.40
KCNQ3 O43525 1/20 0.38
KCNQ2 O43526 1/20 0.38
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
KCNH2 Q12809 1/20 0.38
MCHR1 Q99705 1/20 0.38
CCR3 P51677 1/20 0.37
TACR1 P25103 1/20 0.37

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
SCHEMBL5752352 0.92 UGCG (0.52) UGCGFFAR2POLBRAB9ASMN1; SMN2
SCHEMBL5753708 0.85 NOS3 (0.43) UGCGSMN1; SMN2NOS3NOS1NOS2
SCHEMBL5752726 0.84 UGCG (0.41) UGCGFFAR2NOS3NOS1NOS2
SCHEMBL5750265 0.83 UGCG (0.41) UGCGFFAR2POLBRAB9ASMN1; SMN2
SCHEMBL5753157 0.83 UGCG (0.41) UGCGFFAR2POLBRAB9ASMN1; SMN2
SCHEMBL5752644 0.82 NOS3 (0.42) UGCGSMN1; SMN2NOS3NOS1NOS2
SCHEMBL5751360 0.82 NOS3 (0.42) UGCGFFAR2SMN1; SMN2NOS3NOS1
SCHEMBL5753673 0.81 FFAR2 (0.52) UGCGFFAR2
SCHEMBL5752076 0.80 NOS3 (0.44) UGCGNOS3NOS1NOS2TACR1
SCHEMBL6580474 0.80 NOS3 (0.44) UGCGNOS3NOS1NOS2TACR1

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 UGCG 740/4885FFAR2 184/4885POLB 4680/4885

“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.