SCHEMBL15946000

SCHEMBL15946000

CCCC(O)c1cccc(NCCCCCOCc2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 14/20 0.47
ADRB1 P08588 13/20 0.47
ADRB3 P13945 13/20 0.47
KDM4E B2RXH2 1/20 0.40
HTR1A P08908 1/20 0.40
CHRM5 P08912 1/20 0.40
DRD2 P14416 1/20 0.40
ADRA2B P18089 1/20 0.40
DRD4 P21917 1/20 0.40
SLC6A2 P23975 1/20 0.40
FPR3 P25089 1/20 0.40
ADRA1D P25100 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
SLC6A4 P31645 1/20 0.40
GPR183 P32249 1/20 0.40
HTR7 P34969 1/20 0.40
ADRA1A P35348 1/20 0.40

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) ADRB2ADRB1ADRB3KDM4EHTR1A
SCHEMBL2778613 0.86 ADRB2 (0.46) ADRB2ADRB1ADRB3KDM4EHTR1A
SCHEMBL15946014 0.84 ADRB2 (0.39) ADRB2ADRB1ADRB3KDM4ESMN1; SMN2
SCHEMBL2151427 0.84 ADRB2 (0.46) ADRB2ADRB1ADRB3KDM4EHTR1A
SCHEMBL2167223 0.83 ADRB2 (0.43) ADRB2ADRB1ADRB3HTTSMN1; SMN2
SCHEMBL15576272 0.83 LMNA (0.47) KDM4EHTR7KCNH2KMT2ASMN1; SMN2
SCHEMBL4568812 0.82 CYSLTR2 (0.50) MEN1TP53CYP1A2CYP3A4CYP2C9
SCHEMBL15945986 0.81 KDM4E (0.44) ADRB2ADRB1ADRB3KDM4EADRA2B
SCHEMBL4568884 0.81 CYSLTR2 (0.51) MEN1TP53CYP1A2CYP3A4CYP2C9
SCHEMBL2150932 0.80 ADRB2 (0.46) ADRB2ADRB1ADRB3HDAC11HDAC8

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-20160145198-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. 2016-05-26 US disclosed
US-9193669-B2 Compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2015-11-24 US disclosed
US-20140228443-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2014-08-14 US 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-20160145198-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, ALDH1A2 ADRB2 996/4885ADRB1 856/4885ADRB3 763/4885
US-20140228443-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.