SCHEMBL12209795

SCHEMBL12209795

CCOCCn1c(CN[C@@H](C)C(N)=O)nc2cc(Cl)c(-c3ccc(C(F)(F)F)cc3)cc21

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 8/20 0.44
PTGES O14684 2/20 0.38
CNR2 P34972 2/20 0.37
FPR2 P25090 2/20 0.37
ALDH1A1 P00352 1/20 0.36
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
CNR1 P21554 1/20 0.34
POLB P06746 1/20 0.33
F2 P00734 1/20 0.33
RORC P51449 1/20 0.33
CASR P41180 1/20 0.33
ALOX5AP P20292 1/20 0.33
TRPV3 Q8NET8 1/20 0.33

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
SCHEMBL2488940 0.91 SCN9A (0.40) SCN9AFPR2ALDH1A1POLB
SCHEMBL12210846 0.91 SCN9A (0.39) SCN9APTGESCNR2FPR2ALDH1A1
SCHEMBL15060821 0.90 SMN1; SMN2 (0.38) SCN9AALDH1A1JAK2JAK1TYK2
SCHEMBL12210914 0.89 ALDH1A1 (0.43) ALDH1A1POLB
SCHEMBL2492918 0.88 ALDH1A1 (0.35) SCN9APTGESFPR2ALDH1A1F2
SCHEMBL12210812 0.88 SCN9A (0.47) SCN9AFPR2ALDH1A1JAK2JAK1
SCHEMBL2489326 0.85 SCN9A (0.39) SCN9APTGESFPR2ALDH1A1
SCHEMBL13273948 0.85 ALDH1A1 (0.38) SCN9AFPR2ALDH1A1F2TRPV3
SCHEMBL12210837 0.83 MAOB (0.35) SCN9APTGESALDH1A1F2
SCHEMBL13274163 0.83 SCN9A (0.51) SCN9AFPR2ALDH1A1ALOX5AP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2380881-B1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND SUMITOMO DAINIPPON PHARMA CO LTD (JP) 2017-01-25 EP disclosed
US-20130303535-A1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND Sumitomo Pharma Co., Ltd. (JP) 2013-11-14 US disclosed
US-8471038-B2 Bicyclic heterocyclic compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-06-25 US disclosed
US-20110294804-A1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-12-01 US disclosed
EP-2380881-A1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2011-10-26 EP disclosed
WO-2010074193-A1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND 大日本住友製薬株式会社 (JP) 2010-07-01 WO 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-20110294804-A1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND OPRL1, SCN1B, OPRD1 SCN9A 24/4885PTGES 2980/4885CNR2 11/4885
US-20130303535-A1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND OPRL1, SCN1B, OPRD1 SCN9A 24/4885PTGES 2980/4885CNR2 11/4885

“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.