SCHEMBL15745844

SCHEMBL15745844

OB(O)c1ccccc1CNCCCCNCc1ccccc1B(O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.58
CA2 P00918 4/20 0.58
CA9 Q16790 4/20 0.58
CHRM2 P08172 11/20 0.55
TSHR P16473 2/20 0.53
KDM4E B2RXH2 1/20 0.53
HSD17B10 Q99714 1/20 0.53
GRIN1 Q05586 4/20 0.50
GRIN2A Q12879 4/20 0.50
BCHE P06276 4/20 0.50
ACHE P22303 4/20 0.50
LIPG Q9Y5X9 1/20 0.50
TP53 P04637 1/20 0.50
CHRM4 P08173 1/20 0.50
CYP3A4 P08684 1/20 0.50
CHRM5 P08912 1/20 0.50
CYP2D6 P10635 1/20 0.50
CHRM1 P11229 1/20 0.50
CHRM3 P20309 1/20 0.50
THPO P40225 1/20 0.50

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
SCHEMBL15745843 0.96 CA12 (0.58) CA12CA2CA9CHRM2TSHR
SCHEMBL6348034 0.93 LIPG (0.56) CA12CA2CA9CHRM2TSHR
SCHEMBL30253962 0.92 CHRM2 (0.56) CA12CA2CA9CHRM2TSHR
SCHEMBL1700582 0.92 CHRM2 (0.56) CA12CA2CA9CHRM2TSHR
SCHEMBL237159 0.89 LIPG (0.47) CA12CA2CA9CHRM2TSHR
SCHEMBL26009770 0.89 LIPG (0.50) CA12CA2CA9CHRM2TSHR
SCHEMBL6352960 0.87 MPO (0.65) BCHELIPG
SCHEMBL10457527 0.86 CA12 (0.45) CA12CA2CA9CHRM2TSHR
SCHEMBL10457529 0.85 SCN8A (0.48) CA12CA2CA9CHRM2TSHR
SCHEMBL13287109 0.84 LIPG (0.48) CA12CA2CA9CHRM2TSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160178638-A1 Glucose Sensor Molecule VANTIVE HEALTH GMBH (CH) 2016-06-23 US disclosed
US-9222941-B2 Glucose sensor molecules LIGHTSHIP MEDICAL LIMITED (GB) 2015-12-29 US disclosed
US-20140147934-A1 Glucose sensor molecules ARES CAPITAL CORPORATION 2014-05-29 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 (2 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-20160178638-A1 Glucose Sensor Molecule GPR119, GCKR, IRS1 CA12 2225/4885CA2 1316/4885CA9 1931/4885
US-20140147934-A1 Glucose sensor molecules GPR119, GCKR, IRS1 CA12 2296/4885CA2 1269/4885CA9 1827/4885

“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.