SCHEMBL20139443

SCHEMBL20139443

Brc1cc(Cc2ccc3c(c2)CC3)ccc1OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HRH3 Q9Y5N1 3/20 0.44
PTPN1 P18031 1/20 0.44
SLC6A4 P31645 1/20 0.43
CHRNA7 P36544 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
TLR9 Q9NR96 1/20 0.42
KDM1A O60341 2/20 0.41
FOLH1 Q04609 1/20 0.41
CCR5 P51681 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
SCHEMBL12772163 0.87 RAB9A (0.56) RAB9ASMN1; SMN2PTPN1SLC6A4KDM4E
SCHEMBL20139491 0.82 HTR2A (0.45) RAB9ASMN1; SMN2HTR2AHTR2CHRH3
SCHEMBL20139495 0.82 HTR2A (0.42) RAB9ASMN1; SMN2HTR2AHTR2CHRH3
SCHEMBL20140091 0.82 SLC5A1 (0.42) RAB9ASMN1; SMN2HTR2AHTR2CHRH3
SCHEMBL20141555 0.81 HTR2A (0.44) RAB9ASMN1; SMN2HTR2AHTR2CHRH3
SCHEMBL20139411 0.81 CHRNA7 (0.47) HTR2AHTR2CHRH3PTPN1CHRNA7
SCHEMBL5276838 0.81 RAB9A (0.51) RAB9ASMN1; SMN2PTPN1SLC6A4KDM4E
SCHEMBL20140187 0.81 THRB (0.42) SMN1; SMN2HRH3CHRNA7KDM4EHPGD
SCHEMBL2860906 0.80 RAB9A (0.50) RAB9ASMN1; SMN2PTPN1SLC6A4KDM4E
SCHEMBL20139432 0.80 HTR2A (0.45) RAB9ASMN1; SMN2HTR2AHTR2CHRH3

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 RAB9A 2959/4885SMN1; SMN2 3695/4885HTR2A 862/4885

“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.