SCHEMBL20140136

SCHEMBL20140136

OC(c1ccc2c(c1)CC2)c1cc(Br)c(OCc2ccccc2)cc1F

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM1A O60341 3/20 0.37
HRH3 Q9Y5N1 4/20 0.36
CHRNA7 P36544 2/20 0.35
SCD O00767 1/20 0.35
MRGPRX4 Q96LA9 2/20 0.34
FFAR1 O14842 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
PTGER1 P34995 1/20 0.33
NPC1 O15118 1/20 0.33
S1PR5 Q9H228 1/20 0.33

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
SCHEMBL20140068 0.87 HTR2A (0.42) HTR2AHTR2CRAB9ASMN1; SMN2HRH3
SCHEMBL20139486 0.87 HTR2A (0.40) HTR2AHTR2CRAB9ASMN1; SMN2HRH3
SCHEMBL20139480 0.86 CHRNA7 (0.44) HTR2AHTR2CRAB9AHRH3CHRNA7
SCHEMBL20140108 0.85 HTR2A (0.41) HTR2AHTR2CRAB9ASMN1; SMN2HRH3
SCHEMBL20140032 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
SCHEMBL20139495 0.75 HTR2A (0.42) HTR2AHTR2CRAB9ASMN1; SMN2KDM1A
SCHEMBL21555688 0.74 HTR2A (0.36) HTR2AHTR2CRAB9ASMN1; SMN2SCD

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.