SCHEMBL20139949

SCHEMBL20139949

OC(c1ccc(OCc2ccccc2)c(Br)c1)c1ccc2c(c1)CC2

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
PTPN1 P18031 1/20 0.41
HRH3 Q9Y5N1 4/20 0.40
CHRNA7 P36544 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
TLR9 Q9NR96 1/20 0.39
CCR5 P51681 1/20 0.38
FOLH1 Q04609 1/20 0.38

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
SCHEMBL20139486 0.84 HTR2A (0.40) RAB9ASMN1; SMN2HTR2AHTR2CHRH3
SCHEMBL20140068 0.84 HTR2A (0.42) RAB9ASMN1; SMN2HTR2AHTR2CPTPN1
SCHEMBL20140136 0.84 HTR2A (0.40) RAB9ASMN1; SMN2HTR2AHTR2CHRH3
SCHEMBL20139480 0.83 CHRNA7 (0.44) RAB9AHTR2AHTR2CPTPN1HRH3
SCHEMBL20139420 0.82 THRB (0.39) SMN1; SMN2HRH3KDM4EHPGD
SCHEMBL20140032 0.82 HTR2A (0.41) RAB9ASMN1; SMN2HTR2AHTR2CPTPN1
SCHEMBL20140108 0.82 HTR2A (0.41) RAB9ASMN1; SMN2HTR2AHTR2CPTPN1
SCHEMBL20141585 0.81 HTR2A (0.42) RAB9ASMN1; SMN2HTR2AHTR2CPTPN1
SCHEMBL29826070 0.81 RAB9A (0.48) RAB9ASMN1; SMN2KDM4EHPGDTLR9
SCHEMBL17064661 0.81 RAB9A (0.48) RAB9ASMN1; SMN2KDM4EHPGDTLR9

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.