SCHEMBL5751738

SCHEMBL5751738

OC(c1ccc(F)cc1)C(Cc1ccc(C(F)(F)F)cc1)NCc1cccc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TRPV3 Q8NET8 1/20 0.39
SLC6A4 P31645 2/20 0.39
MCHR1 Q99705 1/20 0.38
DNM1 Q05193 1/20 0.38
PSMB5 P28074 1/20 0.37
TRPV1 Q8NER1 2/20 0.36
SLC6A3 Q01959 1/20 0.36
POLB P06746 1/20 0.35
CYP2C19 P33261 1/20 0.35
DRD4 P21917 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
SCHEMBL5750842 0.86 KMT2A (0.50) KMT2AMAPTHTTMCHR1
SCHEMBL5752263 0.80 DRD4 (0.48) GAAMAPTMAPK1HTTSMN1; SMN2
SCHEMBL5751220 0.80 DRD4 (0.48) GAAMAPTMAPK1HTTSMN1; SMN2
SCHEMBL5753129 0.79 NSD2 (0.43) KMT2AGAAMAPTMAPK1HTT
SCHEMBL5750122 0.78 TRPV1 (0.49) KMT2ATRPV1
SCHEMBL5753953 0.76 PDE2A (0.40) TRPV1DRD4
SCHEMBL5753159 0.75 DRD4 (0.39) MCHR1DRD4
SCHEMBL5786685 0.75 PDE2A (0.40) GAAMAPTMAPK1HTTSMN1; SMN2
SCHEMBL5753299 0.75 SLC6A4 (0.40) KMT2AGAAMAPTMAPK1HTT
SCHEMBL5754323 0.75 NOS3 (0.41)

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 KMT2A 404/4885GAA 3065/4885MAPT 2688/4885

“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.