SCHEMBL16018604

SCHEMBL16018604

CC[C@@H]1C[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](c2cc(Cc3cc4ccccc4s3)c(C)cc2C)O1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.36
SLC5A2 P31639 11/20 0.33
SLC5A1 P13866 7/20 0.33
SSTR1 P30872 2/20 0.33
SSTR2 P30874 2/20 0.33
SSTR4 P31391 2/20 0.33
SSTR3 P32745 2/20 0.33
SSTR5 P35346 2/20 0.33
AGXT P21549 1/20 0.32
ADRB2 P07550 1/20 0.32
CYP2A6 P11509 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
SCHEMBL16018640 0.93 CHRNA7 (0.35) CHRNA7SLC5A2SLC5A1SSTR1SSTR2
SCHEMBL16656269 0.92 SLC5A2 (0.40) CHRNA7SLC5A2SLC5A1SSTR1SSTR2
SCHEMBL16018651 0.92 SLC5A2 (0.37) CHRNA7SLC5A2SLC5A1SSTR1SSTR2
SCHEMBL16018695 0.92 CHRNA7 (0.35) CHRNA7SLC5A2SLC5A1SSTR1SSTR2
SCHEMBL16018612 0.92 SLC5A2 (0.36) CHRNA7SLC5A2SLC5A1SSTR1SSTR2
SCHEMBL16018609 0.92 SLC5A2 (0.40) CHRNA7SLC5A2SLC5A1SSTR1SSTR2
SCHEMBL16018646 0.91 CHRNA7 (0.36) CHRNA7SLC5A2SLC5A1SSTR1SSTR2
SCHEMBL16018603 0.91 SLC5A2 (0.41) CHRNA7SLC5A2SLC5A1SSTR1SSTR2
SCHEMBL16018673 0.91 SLC5A2 (0.41) CHRNA7SLC5A2SLC5A1SSTR1SSTR2
SCHEMBL16018674 0.91 SLC5A1 (0.30) SLC5A2SLC5A1

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 CHRNA7 4646/4885SLC5A2 2/4885SLC5A1 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.