SCHEMBL2778613

SCHEMBL2778613

O=C(O)NCCC(O)c1cccc(NCCCCCOCc2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 15/20 0.46
ADRB1 P08588 14/20 0.46
ADRB3 P13945 14/20 0.46
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
EPHX2 P34913 1/20 0.40
KDM4E B2RXH2 1/20 0.39
HTR1A P08908 1/20 0.39
CHRM5 P08912 1/20 0.39
DRD2 P14416 1/20 0.39
ADRA2B P18089 1/20 0.39
DRD4 P21917 1/20 0.39
SLC6A2 P23975 1/20 0.39
FPR3 P25089 1/20 0.39
ADRA1D P25100 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
SLC6A4 P31645 1/20 0.39

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
SCHEMBL3130658 0.89 ADRB2 (0.47) ADRB2ADRB1ADRB3HTTSMN1; SMN2
SCHEMBL15946000 0.86 ADRB2 (0.47) ADRB2ADRB1ADRB3HTTSMN1; SMN2
SCHEMBL3963466 0.85 SMN1; SMN2 (0.46) ADRB2ADRB1ADRB3HTTSMN1; SMN2
SCHEMBL2778629 0.84 LMNA (0.47) HTTSMN1; SMN2EPHX2KDM4EMEN1
SCHEMBL2151152 0.82 ADRB3 (0.42) ADRB2ADRB1ADRB3
SCHEMBL2167223 0.82 ADRB2 (0.43) ADRB2ADRB1ADRB3HTTSMN1; SMN2
SCHEMBL2151291 0.82 EPHX2 (0.45) HTTSMN1; SMN2EPHX2KDM4EMEN1
SCHEMBL2151427 0.81 ADRB2 (0.46) ADRB2ADRB1ADRB3HTTSMN1; SMN2
SCHEMBL2150873 0.80 NAAA (0.46) ADRB2ADRB1ADRB3HTTSMN1; SMN2
SCHEMBL2150932 0.80 ADRB2 (0.46) ADRB2ADRB1ADRB3HTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160145198-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. 2016-05-26 US disclosed
US-8674137-B2 Compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2014-03-18 US disclosed
US-20100113539-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-05-06 US disclosed
WO-2010048332-A2 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-04-29 WO 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 (2 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-20100113539-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, ALDH1A2 ADRB2 996/4885ADRB1 856/4885ADRB3 763/4885
US-20160145198-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, ALDH1A2 ADRB2 996/4885ADRB1 856/4885ADRB3 763/4885

“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.