SCHEMBL9933040

SCHEMBL9933040

CC(C)(C)OC(=O)N1c2ccc(N3CCCC3)cc2Sc2cc(Br)cc(C(F)(F)F)c21

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 1/20 0.40
▸ PDK2 Q15119 1/20 0.36
▸ GPR119 Q8TDV5 2/20 0.35
▸ GABRA1 P14867 2/20 0.34
▸ GABRG2 P18507 2/20 0.34
▸ GABRB3 P28472 2/20 0.34
▸ GABRA5 P31644 2/20 0.34
▸ GABRA3 P34903 2/20 0.34
▸ GABRA6 Q16445 2/20 0.34
▸ NOTUM Q6P988 1/20 0.34
▸ ALK Q9UM73 2/20 0.33
▸ ABHD6 Q9BV23 2/20 0.33
▸ P2RX7 Q99572 1/20 0.33
▸ AR P10275 3/20 0.33
▸ S1PR1 P21453 1/20 0.33
▸ PLA2G7 Q13093 1/20 0.33
▸ MGLL Q99685 1/20 0.33
▸ RBP4 P02753 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
SCHEMBL2585068 0.89 SIRT6 (0.41) BCHEPDK2GPR119GABRA1GABRG2
SCHEMBL2591986 0.87 BCHE (0.47) BCHEGPR119ABHD6ARRBP4
SCHEMBL2594780 0.86 PDK2 (0.46) BCHEPDK2GPR119ALK
SCHEMBL2592963 0.83 LGMN (0.38) BCHEPDK2GPR119NOTUM
SCHEMBL27892048 0.82 BCHE (0.62) BCHE
SCHEMBL21196734 0.82 BCHE (0.41) BCHEPDK2GPR119GABRA1GABRG2
SCHEMBL19747099 0.79 MAPT (0.43) —
SCHEMBL13386133 0.78 BCHE (0.40) BCHEGPR119ABHD6
SCHEMBL2587116 0.78 BCHE (0.38) BCHE
SCHEMBL13386253 0.77 BACE1 (0.41) BCHEPDK2GPR119RBP4

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-2585073-B1 ANTIVIRAL COMPOUNDS PROSETTA ANTIVIRAL INC (US) 2016-04-27 — — EP disclosed
US-8785434-B2 Antiviral compounds PROSETTA ANTIVIRAL INC. (US) 2014-07-22 — — US disclosed
CN-102958525-A Antiviral compounds PROSTETTA ANTIVIRAL INC 2013-03-06 — — CN disclosed
US-20120157435-A1 Antiviral Compounds PROSETTA ANTIVIRAL INC. (US) 2012-06-21 — — 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-20120157435-A1 Antiviral Compounds MAVS, ZC3HAV1, EIF2AK2 BCHE 1570/4885PDK2 1288/4885GPR119 3437/4885

“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.

Send feedback