SCHEMBL16018686

SCHEMBL16018686

Cc1c(Br)cc(Cc2cc3ccccc3s2)c(C)c1C

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.50
ADRB2 P07550 1/20 0.50
ASIC3 Q9UHC3 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.46
IDH1 O75874 1/20 0.44
AGXT P21549 1/20 0.43
ADRA1D P25100 2/20 0.43
CTRC Q99895 1/20 0.40
SLC5A2 P31639 9/20 0.38
SLC5A1 P13866 5/20 0.37
CHRM1 P11229 1/20 0.37
ADRA1A P35348 1/20 0.37
SLC6A3 Q01959 1/20 0.37

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
SCHEMBL28202032 0.85 CYP2A6 (0.50) CYP2A6ADRB2ASIC3LOXL2IDH1
SCHEMBL16018598 0.82 CYP2A6 (0.50) CYP2A6ADRB2ASIC3LOXL2IDH1
SCHEMBL16020862 0.80 CYP2A6 (0.40) CYP2A6ADRB2ASIC3LOXL2IDH1
SCHEMBL21697653 0.80 CYP2A6 (0.40) CYP2A6ADRB2ASIC3LOXL2IDH1
SCHEMBL28201450 0.79 CYP2A6 (0.50) CYP2A6ADRB2ASIC3LOXL2IDH1
SCHEMBL28954986 0.79 CYP2A6 (0.50) CYP2A6ADRB2ASIC3LOXL2IDH1
SCHEMBL16018691 0.79 CYP2A6 (0.42) CYP2A6ADRB2ASIC3LOXL2IDH1
SCHEMBL16018613 0.79 CYP2A6 (0.47) CYP2A6ADRB2ASIC3LOXL2IDH1
SCHEMBL16018639 0.79 CYP2A6 (0.47) CYP2A6ADRB2ASIC3LOXL2IDH1
SCHEMBL16018607 0.79 CYP2A6 (0.47) CYP2A6ADRB2ASIC3LOXL2IDH1

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-9012412-B2 Dual SGLT1/SGLT2 inhibitors JANSSEN PHARMACEUTICA NV (BE) 2015-04-21 US disclosed
US-20140256657-A1 DUAL SGLT1/SGLT2 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2014-09-11 US 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-20140256657-A1 DUAL SGLT1/SGLT2 INHIBITORS SLC5A1, SLC5A2, GLP1R CYP2A6 646/4885ADRB2 528/4885ASIC3 632/4885

“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.