SCHEMBL16239342

SCHEMBL16239342

CC(=O)OCc1cc(OC2CCOC2)cc(C)c1Br

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.41
FFAR1 O14842 3/20 0.38
F2 P00734 3/20 0.36
F10 P00742 3/20 0.36
PRSS1 P07477 3/20 0.36
PRSS2 P07478 3/20 0.36
F7 P08709 3/20 0.36
F3 P13726 3/20 0.36
PRSS3 P35030 3/20 0.36
PDE4D Q08499 5/20 0.36
PDE4A P27815 3/20 0.36
PDE4B Q07343 3/20 0.36
PDE4C Q08493 3/20 0.36
P2RX3 P56373 2/20 0.35
P2RX2 Q9UBL9 2/20 0.35

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
SCHEMBL16239340 1.00 GRM5 (0.41) GRM5FFAR1F2F10PRSS1
SCHEMBL16239384 0.82 GRM5 (0.37) GRM5FFAR1PDE4DPDE4APDE4B
SCHEMBL16239564 0.82 GRM5 (0.37) GRM5FFAR1PDE4DPDE4APDE4B
SCHEMBL15262160 0.80 GRM5 (0.42) GRM5FFAR1PDE4DPDE4APDE4B
SCHEMBL15261948 0.80 GRM5 (0.42) GRM5FFAR1PDE4DPDE4APDE4B
SCHEMBL15261947 0.80 GRM5 (0.42) GRM5FFAR1PDE4DPDE4APDE4B
SCHEMBL566217 0.79 PTPN1 (0.35) PDE4B
SCHEMBL16239815 0.77 FFAR1 (0.49) GRM5FFAR1PDE4DPDE4APDE4B
SCHEMBL15125744 0.77 FFAR1 (0.49) GRM5FFAR1PDE4DPDE4APDE4B
SCHEMBL205239 0.76 CA2 (0.45)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2803664-B1 TETRAHYDROBENZOFURANE DERIVATIVES AS GPR40 AGONISTS FOR THE TREATMENT OF DIABETES JIANGSU HENGRUI MEDICINE CO (CN) 2018-11-21 EP disclosed
US-9139548-B2 Polycyclic derivatives, preparation process and pharmaceutical use thereof JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2015-09-22 US disclosed
US-20150005282-A1 POLYCYCLIC DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2015-01-01 US disclosed
EP-2803664-A1 POLYCYCLIC DERIVATIVES, PREPARATION METHOD AND MEDICAL USES THEREOF Jiangsu Hengrui Medicine Co. Ltd. (CN) 2014-11-19 EP 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-20150005282-A1 POLYCYCLIC DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF GPR119, GPR55, GPR65 GRM5 209/4885FFAR1 19/4885F2 3256/4885

“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.