SCHEMBL20140091

SCHEMBL20140091

Clc1cc(OCc2ccccc2)c(Br)cc1Cc1ccc2c(c1)CC2

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC5A1 P13866 4/20 0.42
SLC5A2 P31639 4/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
CCR5 P51681 1/20 0.41
HRH3 Q9Y5N1 3/20 0.39
CHRNA7 P36544 2/20 0.38
PTGER1 P34995 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
KMT2A Q03164 1/20 0.37
SLC6A4 P31645 1/20 0.36

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
SCHEMBL20139491 0.86 HTR2A (0.45) SLC5A1SLC5A2HTR2AHTR2CCCR5
SCHEMBL20139495 0.86 HTR2A (0.42) SLC5A1SLC5A2HTR2AHTR2CCCR5
SCHEMBL20139411 0.85 CHRNA7 (0.47) SLC5A1SLC5A2HTR2AHTR2CHRH3
SCHEMBL20141555 0.85 HTR2A (0.44) SLC5A1SLC5A2HTR2AHTR2CCCR5
SCHEMBL21553816 0.85 HTR2A (0.39) SLC5A2HTR2AHTR2CCCR5PTGER1
SCHEMBL20139432 0.83 HTR2A (0.45) SLC5A1SLC5A2HTR2AHTR2CHRH3
SCHEMBL20140059 0.83 HTR2A (0.43) HTR2AHTR2CCCR5HRH3CHRNA7
SCHEMBL20139443 0.82 RAB9A (0.48) HTR2AHTR2CCCR5HRH3CHRNA7
SCHEMBL20139395 0.81 HTR2A (0.39) SLC5A1SLC5A2HTR2AHTR2CHRH3
SCHEMBL20139414 0.77 NPC1 (0.43) HTR2AHTR2CPTGER1RAB9ASMN1; 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 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 SLC5A1 2/4885SLC5A2 1/4885HTR2A 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.