SCHEMBL20139486

SCHEMBL20139486

OC(c1ccc2c(c1)CC2)c1cc(Br)c(OCc2ccccc2)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
HRH3 Q9Y5N1 4/20 0.36
CHRNA7 P36544 2/20 0.35
NPC1 O15118 2/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ACP1 P24666 1/20 0.34
PTPN12 Q05209 1/20 0.34
PTPN13 Q12923 1/20 0.34
SSU72 Q9NP77 1/20 0.34
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL20140032 0.87 HTR2A (0.41) HTR2AHTR2CRAB9ASMN1; SMN2HRH3
SCHEMBL20140136 0.87 HTR2A (0.40) HTR2AHTR2CRAB9ASMN1; SMN2HRH3
SCHEMBL20140068 0.87 HTR2A (0.42) HTR2AHTR2CRAB9ASMN1; SMN2HRH3
SCHEMBL20139480 0.86 CHRNA7 (0.44) HTR2AHTR2CRAB9AHRH3CHRNA7
SCHEMBL21555688 0.86 HTR2A (0.36) HTR2AHTR2CRAB9ASMN1; SMN2NPC1
SCHEMBL20140108 0.85 HTR2A (0.41) HTR2AHTR2CRAB9ASMN1; SMN2HRH3
SCHEMBL20141585 0.84 HTR2A (0.42) HTR2AHTR2CRAB9ASMN1; SMN2HRH3
SCHEMBL20139949 0.84 RAB9A (0.47) HTR2AHTR2CRAB9ASMN1; SMN2HRH3
SCHEMBL20139642 0.83 HTR2A (0.37) HTR2AHTR2CRAB9ASMN1; SMN2HRH3
SCHEMBL2172572 0.76 SMN1; SMN2 (0.34) HTR2AHTR2CRAB9ASMN1; SMN2MEN1

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 879/4885RAB9A 2959/4885

“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.