SCHEMBL753015

SCHEMBL753015

CC(=O)c1cncn1Cc1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 10/20 0.55
CYP11B2 P19099 10/20 0.55
GPBAR1 Q8TDU6 1/20 0.51
POLB P06746 1/20 0.47
GRM2 Q14416 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
CYP19A1 P11511 2/20 0.42
CNR2 P34972 2/20 0.41
CNR1 P21554 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
RAB9A P51151 1/20 0.40

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
SCHEMBL7169286 0.86 CYP11B1 (0.57) CYP11B1CYP11B2GPBAR1GRM2CYP19A1
SCHEMBL17544548 0.85 CYP11B1 (0.52) CYP11B1CYP11B2GPBAR1POLBGRM2
SCHEMBL1812632 0.84 CYP11B1 (0.53) CYP11B1CYP11B2GPBAR1
SCHEMBL17684662 0.84 CYP11B1 (0.70) CYP11B1CYP11B2GPBAR1GRM2L3MBTL1
SCHEMBL28057562 0.78 CYP11B1 (0.55) CYP11B1CYP11B2GPBAR1POLBGRM2
SCHEMBL9121334 0.77 CYP11B1 (0.55) CYP11B1CYP11B2GPBAR1CYP19A1CNR2
SCHEMBL9091320 0.77 CYP11B1 (0.54) CYP11B1CYP11B2GPBAR1CNR2RAB9A
SCHEMBL4674844 0.76 CA12 (0.61) POLBL3MBTL1CNR2CNR1CA12
SCHEMBL31471987 0.76 CYP11B1 (0.62) CYP11B1CYP11B2GPBAR1
SCHEMBL9092177 0.75 CYP11B1 (0.52) CYP11B1CYP11B2GPBAR1L3MBTL1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2266958-B1 Antiviral agent SHIONOGI & CO (JP) 2017-03-15 EP disclosed
US-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US disclosed
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 US disclosed
EP-3042894-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2016-07-13 EP disclosed
US-20150202208-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2015-07-23 US disclosed
EP-1422218-B1 ANTIVIRAL AGENT SHIONOGI & CO (JP) 2012-03-21 EP disclosed
EP-2266958-A1 Antiviral agent SHIONOGI & CO., LTD. (JP) 2010-12-29 EP disclosed
EP-2181985-A1 Antiviral Agent SHIONOGI & CO., LTD. (JP) 2010-05-05 EP disclosed
US-20040229909-A1 Antiviral agent SHIONOGI & CO., LTD. (JP) 2004-11-18 US disclosed
EP-1422218-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2004-05-26 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 (3 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-20040229909-A1 Antiviral agent ZC3HAV1, ZC3HAV1L, DUT CYP11B1 1880/4885CYP11B2 2488/4885GPBAR1 4125/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI CYP11B1 1632/4885CYP11B2 2129/4885GPBAR1 3974/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI CYP11B1 1632/4885CYP11B2 2129/4885GPBAR1 3974/4885

“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.