SCHEMBL20140068

SCHEMBL20140068

Cc1cc(OCc2ccccc2)c(Br)cc1C(O)c1ccc2c(c1)CC2

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HRH3 Q9Y5N1 4/20 0.39
CHRNA7 P36544 2/20 0.38
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
CARM1 Q86X55 1/20 0.34
PTPN1 P18031 1/20 0.34
CCR5 P51681 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
TLR9 Q9NR96 1/20 0.34

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
SCHEMBL20139480 0.88 CHRNA7 (0.44) HTR2AHTR2CHRH3CHRNA7RAB9A
SCHEMBL20140032 0.87 HTR2A (0.41) HTR2AHTR2CHRH3CHRNA7RAB9A
SCHEMBL20140108 0.87 HTR2A (0.41) HTR2AHTR2CHRH3CHRNA7RAB9A
SCHEMBL20139486 0.87 HTR2A (0.40) HTR2AHTR2CHRH3CHRNA7RAB9A
SCHEMBL20140136 0.87 HTR2A (0.40) HTR2AHTR2CHRH3CHRNA7RAB9A
SCHEMBL20141585 0.84 HTR2A (0.42) HTR2AHTR2CHRH3CHRNA7RAB9A
SCHEMBL20139949 0.84 RAB9A (0.47) HTR2AHTR2CHRH3CHRNA7RAB9A
SCHEMBL3223738 0.83 SMN1; SMN2 (0.39) HTR2AHTR2CRAB9ASMN1; SMN2KEAP1
SCHEMBL20139642 0.83 HTR2A (0.37) HTR2AHTR2CHRH3CHRNA7RAB9A
SCHEMBL21557913 0.82 LMNA (0.44) RAB9ASMN1; SMN2KEAP1NFE2L2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10815210-B2 Benzocyclobutane derivatives useful as dual SGLT1 / SGLT2 modulators JANSSEN PHARMACEUTICA NV (BE) 2020-10-27 US disclosed
WO-2018089449-A1 BENZOCYCLOBUTANE DERIVATIVES USEFUL AS DUAL SGLT1/SGLT2 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-05-17 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 (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-10815210-B2 Benzocyclobutane derivatives useful as dual SGLT1 / SGLT2 modulators SLC5A2, SLC5A1, SLC2A2 HTR2A 862/4885HTR2C 879/4885HRH3 3941/4885

“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.