SCHEMBL20139378

SCHEMBL20139378

CN(C)c1ccc(Br)cc1Cc1ccc2c(c1)CC2

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 3/20 0.36
SLC5A1 P13866 7/20 0.33
SLC5A2 P31639 7/20 0.33
HSD17B3 P37058 1/20 0.33
CARM1 Q86X55 2/20 0.33
MPO P05164 1/20 0.32
CETP P11597 1/20 0.32
PNMT P11086 1/20 0.32
ASIC3 Q9UHC3 1/20 0.32

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
SCHEMBL20139385 0.80 SLC5A1 (0.48) SLC5A1SLC5A2HSD17B3CARM1MPO
SCHEMBL20139367 0.77 SLC5A2 (0.48) CCR5SLC5A1SLC5A2MPOPNMT
SCHEMBL20139469 0.77 SLC5A1 (0.51) SLC5A1SLC5A2CETP
SCHEMBL16682942 0.72 SNCA (0.47) SLC5A1SLC5A2MPOCETP
SCHEMBL20140059 0.72 HTR2A (0.43) CCR5
SCHEMBL5361734 0.70 SMN1; SMN2 (0.38) CCR5
SCHEMBL20155232 0.69 PYCR1 (0.31)
SCHEMBL20140036 0.69 TAAR1 (0.44)
SCHEMBL20139425 0.69 MEN1 (0.50) CCR5SLC5A1SLC5A2CETP
SCHEMBL20139399 0.67 SLC5A2 (0.42) CCR5SLC5A1SLC5A2

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 CCR5 1266/4885SLC5A1 2/4885SLC5A2 1/4885

“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.